4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

C213H324Cl4F7N35O7S3 — CID 162282002

IUPAC4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1c(Cl)cnn1C(C)C.CC(C)c1c2c(nn1C)CCCC2.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc(Cl)nn1.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(F)(F)F.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cnn(C2CCCC2)c1.CCCn1cc(Cl)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1ccccc1C(C)C.CCc1ccc(C(C)C)s1.CCc1ocnc1C(C)C.CCn1ccc(C(C)C)n1.CCn1nc(C)cc1C(C)C.COc1ccc(Cl)c(C(C)C)c1.COc1cccc(C(C)C)c1O.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(F)F)n1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C
InChIInChI=1S/C11H15N3.2C11H18N2.C11H16O.C11H16S.C10H13ClO.C10H12N2O.C10H14O2.2C9H15ClN2.2C9H16N2.C9H13N.C9H14S.C8H11F3N2.2C8H12F2N2.C8H14N2.C8H13NO.C7H9ClN2.C7H10N2.C7H12N2.C7H11NO.C6H9NS/c1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-4-12-11-8-6-5-7-10(11)9(2)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-6(2)9-8(10)5-11-12(9)7(3)4;1-4-5-12-6-8(10)9(11-12)7(2)3;1-5-11-9(7(2)3)6-8(4)10-11;1-4-7-11-9(8(2)3)5-6-10-11;1-7(2)9-4-5-10-6-8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-6(2)7-3-4-12-13(7)5-8(9,10)11;1-5(2)7-4-6(3)11-12(7)8(9)10;1-6(2)7-3-4-12(11-7)5-8(9)10;1-4-10-6-5-8(9-10)7(2)3;1-4-7-8(6(2)3)9-5-10-7;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-3-8-5-9-4-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-4-8-6/h5-7H,1-4H3;8H,4-7H2,1-3H3;7-9,11H,3-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7,11H,1-3H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-4,6H,5H2,1-2H3;4-5,8H,1-3H3;3-4,6,8H,5H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3
InChIKeyBDLXGCWIPNOXKU-UHFFFAOYSA-N
MW3858.17 g/mol
LogP62.71
Rot. Bonds43

About 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 162282002) has the molecular formula C213H324Cl4F7N35O7S3 and a molecular weight of 3858.17 g/mol. Its IUPAC name is 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID162282002
Molecular FormulaC213H324Cl4F7N35O7S3
Molecular Weight3858.17 g/mol
Exact Mass3853.39
IUPAC Name4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1c(Cl)cnn1C(C)C.CC(C)c1c2c(nn1C)CCCC2.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc(Cl)nn1.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(F)(F)F.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cnn(C2CCCC2)c1.CCCn1cc(Cl)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1ccccc1C(C)C.CCc1ccc(C(C)C)s1.CCc1ocnc1C(C)C.CCn1ccc(C(C)C)n1.CCn1nc(C)cc1C(C)C.COc1ccc(Cl)c(C(C)C)c1.COc1cccc(C(C)C)c1O.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(F)F)n1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C
InChIInChI=1S/C11H15N3.2C11H18N2.C11H16O.C11H16S.C10H13ClO.C10H12N2O.C10H14O2.2C9H15ClN2.2C9H16N2.C9H13N.C9H14S.C8H11F3N2.2C8H12F2N2.C8H14N2.C8H13NO.C7H9ClN2.C7H10N2.C7H12N2.C7H11NO.C6H9NS/c1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-4-12-11-8-6-5-7-10(11)9(2)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-6(2)9-8(10)5-11-12(9)7(3)4;1-4-5-12-6-8(10)9(11-12)7(2)3;1-5-11-9(7(2)3)6-8(4)10-11;1-4-7-11-9(8(2)3)5-6-10-11;1-7(2)9-4-5-10-6-8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-6(2)7-3-4-12-13(7)5-8(9,10)11;1-5(2)7-4-6(3)11-12(7)8(9)10;1-6(2)7-3-4-12(11-7)5-8(9)10;1-4-10-6-5-8(9-10)7(2)3;1-4-7-8(6(2)3)9-5-10-7;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-3-8-5-9-4-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-4-8-6/h5-7H,1-4H3;8H,4-7H2,1-3H3;7-9,11H,3-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7,11H,1-3H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-4,6H,5H2,1-2H3;4-5,8H,1-3H3;3-4,6,8H,5H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3
InChIKeyBDLXGCWIPNOXKU-UHFFFAOYSA-N
XLogP62.71
TPSA456.73 Ų
H-Bond Donors3
H-Bond Acceptors43
Rotatable Bonds43
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003858.17
LogP ≤ 562.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1043

Analyze 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

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Launch Full Analysis

Related Compounds

CID 159991720
CID 159991720
1-benzofuran;3-chloro-5-methylpyridine;3-chloropyridine;2,3-difluoropyridine;N,N-dimethylpyrazin-2-amine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;3-fluoro-2-methylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1-hydroxypyridin-1-ium;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;pyridin-2-amine;1H-pyrido[3,4-b][1,4]thiazine;5-(trifluoromethyl)-1H-pyrazole;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 160453119
CID 162268877
CID 162268877
1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;4-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;3-propan-2-ylpyridine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole
CID 162269071
CID 162282001
CID 162282001
CID 162282013
CID 162282013
1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole
CID 162282014
1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;2-(furan-2-yl)-4-propan-2-yl-1H-pyrrole;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-3-propan-2-yl-1-propylpyrazole;4-methyl-1-propan-2-ylpyrazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole
CID 162282015
1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole
CID 162282017
6-chloro-2-methylimidazo[1,2-a]pyridine;4,5-dimethyl-1,3-oxazole;2,5-dimethylpyrazine;1,3-dimethylpyridin-2-one;bis(1,4-dimethylpyridin-2-one);1,5-dimethylpyridin-2-one;1,6-dimethylpyridin-2-one;1-ethyl-3-methylpyridin-2-one;5-fluoro-2-methyl-1-benzofuran;2-methoxy-3-methylpyridine;3-methoxy-4-methylpyridine;2-methyl-1-benzofuran;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;3-methyl-2,1-benzoxazole;2-methylimidazo[1,2-a]pyridine;8-methylimidazo[1,2-a]pyridine;3-methyl-2H-indazole;2-methyl-1H-indol-5-ol;3-methyl-6-propan-2-yl-1H-pyridin-2-one;4-methyl-1-propan-2-ylpyridin-2-one;4-methylpyridazine;N,N,4-trimethylpyridin-2-amine;1,3,6-trimethylpyridin-2-one;3,4,6-trimethyl-1H-pyridin-2-one
CID 161275595
1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;methane;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;2-phenyl-3-propan-2-yl-1H-pyrrole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole
CID 162268900
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-chloropyridazin-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 162287549

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (CID 162282002) is 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)c1c(Cl)cnn1C(C)C.CC(C)c1c2c(nn1C)CCCC2.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccc(Cl)nn1.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(F)(F)F.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cnn(C2CCCC2)c1.CCCn1cc(Cl)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1ccccc1C(C)C.CCc1ccc(C(C)C)s1.CCc1ocnc1C(C)C.CCn1ccc(C(C)C)n1.CCn1nc(C)cc1C(C)C.COc1ccc(Cl)c(C(C)C)c1.COc1cccc(C(C)C)c1O.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(F)F)n1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.
What is the InChIKey of 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is BDLXGCWIPNOXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.2C11H18N2.C11H16O.C11H16S.C10H13ClO.C10H12N2O.C10H14O2.2C9H15ClN2.2C9H16N2.C9H13N.C9H14S.C8H11F3N2.2C8H12F2N2.C8H14N2.C8H13NO.C7H9ClN2.C7H10N2.C7H12N2.C7H11NO.C6H9NS/c1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-4-12-11-8-6-5-7-10(11)9(2)3;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-6(2)9-8(10)5-11-12(9)7(3)4;1-4-5-12-6-8(10)9(11-12)7(2)3;1-5-11-9(7(2)3)6-8(4)10-11;1-4-7-11-9(8(2)3)5-6-10-11;1-7(2)9-4-5-10-6-8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-6(2)7-3-4-12-13(7)5-8(9,10)11;1-5(2)7-4-6(3)11-12(7)8(9)10;1-6(2)7-3-4-12(11-7)5-8(9)10;1-4-10-6-5-8(9-10)7(2)3;1-4-7-8(6(2)3)9-5-10-7;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-3-8-5-9-4-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)6-3-7-4-8-6/h5-7H,1-4H3;8H,4-7H2,1-3H3;7-9,11H,3-6H2,1-2H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7,11H,1-3H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-4,6H,5H2,1-2H3;4-5,8H,1-3H3;3-4,6,8H,5H2,1-2H3;5-7H,4H2,1-3H3;5-6H,4H2,1-3H3;3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 3858.17 g/mol, XLogP of 62.71, 43 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-di(propan-2-yl)pyrazole;1-chloro-4-methoxy-2-propan-2-ylbenzene;4-chloro-3-propan-2-yl-1-propylpyrazole;3-chloro-6-propan-2-ylpyridazine;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;1-ethyl-3-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;5-propan-2-yl-1-propylpyrazole;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 162282002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).