4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

C186H290Cl2F7N35O6S3 — CID 162278389

IUPAC4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1c(Cl)cnn1C(C)C.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(F)(F)F.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1nonc1CCCO.CCCn1cc(Cl)c(C(C)C)n1.CCCn1nccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C)cc1C(C)C.CNC(=O)c1cc(C(C)C)nn1C.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(F)F)n1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H17N.C11H15N3.C11H18N2.C11H16S.C10H12N2O.C10H16N2.C10H18N2.2C9H15ClN2.2C9H15N3O.2C9H16N2.C9H14S.C8H11F3N2.2C8H12F2N2.C8H14N2O2.C8H13NO.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-6-10(8(3)4)12(5)11-9;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;1-6(2)7-5-8(9(13)10-3)12(4)11-7;1-6(2)8-5-9(10-7(3)13)11-12(8)4;1-5-11-9(7(2)3)6-8(4)10-11;1-4-7-11-9(8(2)3)5-6-10-11;1-4-8-5-6-9(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;1-6(2)8-7(4-3-5-11)9-12-10-8;1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;5-7H,1-4H3;7-9,11H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3-7H,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,11,12);6-8H,1-5H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;5-7H,4H2,1-3H3;3-4,6H,5H2,1-2H3;4-5,8H,1-3H3;3-4,6,8H,5H2,1-2H3;6,11H,3-5H2,1-2H3;5H,1-4H3;3-6H,1-2H3
InChIKeyVPSXMSWEDHDMGO-UHFFFAOYSA-N
MW3412.70 g/mol
LogP51.91
Rot. Bonds39

About 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 162278389) has the molecular formula C186H290Cl2F7N35O6S3 and a molecular weight of 3412.70 g/mol. Its IUPAC name is 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID162278389
Molecular FormulaC186H290Cl2F7N35O6S3
Molecular Weight3412.70 g/mol
Exact Mass3409.19
IUPAC Name4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1c(Cl)cnn1C(C)C.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(F)(F)F.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1nonc1CCCO.CCCn1cc(Cl)c(C(C)C)n1.CCCn1nccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C)cc1C(C)C.CNC(=O)c1cc(C(C)C)nn1C.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(F)F)n1.Cc1noc(C(C)C)c1C
InChIInChI=1S/C13H17N.C11H15N3.C11H18N2.C11H16S.C10H12N2O.C10H16N2.C10H18N2.2C9H15ClN2.2C9H15N3O.2C9H16N2.C9H14S.C8H11F3N2.2C8H12F2N2.C8H14N2O2.C8H13NO.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-6-10(8(3)4)12(5)11-9;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;1-6(2)7-5-8(9(13)10-3)12(4)11-7;1-6(2)8-5-9(10-7(3)13)11-12(8)4;1-5-11-9(7(2)3)6-8(4)10-11;1-4-7-11-9(8(2)3)5-6-10-11;1-4-8-5-6-9(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;1-6(2)8-7(4-3-5-11)9-12-10-8;1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;5-7H,1-4H3;7-9,11H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3-7H,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,11,12);6-8H,1-5H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;5-7H,4H2,1-3H3;3-4,6H,5H2,1-2H3;4-5,8H,1-3H3;3-4,6,8H,5H2,1-2H3;6,11H,3-5H2,1-2H3;5H,1-4H3;3-6H,1-2H3
InChIKeyVPSXMSWEDHDMGO-UHFFFAOYSA-N
XLogP51.91
TPSA456.40 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds39
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003412.70
LogP ≤ 551.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

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Related Compounds

CID 162278388
CID 162278388
3-butyl-4-propan-2-yl-2H-1,2,3,5-oxatriazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;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;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;4-methoxy-1-methyl-2-propan-2-ylbenzene;4-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-3-propan-2-yl-1-propylpyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;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;3-propan-2-ylthiophene
CID 162278390
1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;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-methyl-1,5-di(propan-2-yl)pyrazole;4-methyl-3-propan-2-yl-1-propylpyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-ylthiophene
CID 162278396
1-chloro-5-propan-2-yl-3-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;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;4-methyl-1,5-di(propan-2-yl)pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-methyl-4-propan-2-ylpyridine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-ylthiophene
CID 162278397
1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1-ethoxy-3-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;1-methyl-3,5-di(propan-2-yl)pyrazole;2-methyl-6-propan-2-ylphenol;5-methyl-4-propan-2-yl-1H-pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;2-methyl-5-propan-2-ylthiophene;3-methyl-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;3-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene
CID 162278393

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (CID 162278389) is 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;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;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is CC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1c(Cl)cnn1C(C)C.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc(C(C)C)n(C)n1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(F)(F)F.CC(C)c1ccsc1.CC(C)c1cnn(C2CCCC2)c1.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1nonc1CCCO.CCCn1cc(Cl)c(C(C)C)n1.CCCn1nccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C)cc1C(C)C.CNC(=O)c1cc(C(C)C)nn1C.Cc1[nH]c2ccc(C(C)C)cc2c1C.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(F)F)n1.Cc1noc(C(C)C)c1C.
What is the InChIKey of 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is VPSXMSWEDHDMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C11H15N3.C11H18N2.C11H16S.C10H12N2O.C10H16N2.C10H18N2.2C9H15ClN2.2C9H15N3O.2C9H16N2.C9H14S.C8H11F3N2.2C8H12F2N2.C8H14N2O2.C8H13NO.C7H10S/c1-8(2)11-5-6-13-12(7-11)9(3)10(4)14-13;1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-9(2)10-7-12-13(8-10)11-5-3-4-6-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-6-10(8(3)4)12(5)11-9;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;1-6(2)7-5-8(9(13)10-3)12(4)11-7;1-6(2)8-5-9(10-7(3)13)11-12(8)4;1-5-11-9(7(2)3)6-8(4)10-11;1-4-7-11-9(8(2)3)5-6-10-11;1-4-8-5-6-9(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;1-6(2)8-7(4-3-5-11)9-12-10-8;1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-3-4-8-5-7/h5-8,14H,1-4H3;5-7H,1-4H3;7-9,11H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;3-7H,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,11,12);6-8H,1-5H3;5-7H,1-4H3;6-7H,4-5H2,1-3H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;5-7H,4H2,1-3H3;3-4,6H,5H2,1-2H3;4-5,8H,1-3H3;3-4,6,8H,5H2,1-2H3;6,11H,3-5H2,1-2H3;5H,1-4H3;3-6H,1-2H3.
What are the key properties of 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 3412.70 g/mol, XLogP of 51.91, 39 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-di(propan-2-yl)pyrazole;4-chloro-3-propan-2-yl-1-propylpyrazole;1-cyclopentyl-4-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-3-propan-2-ylpyrazole;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;2,3-dimethyl-5-propan-2-yl-1H-indole;3,4-dimethyl-5-propan-2-yl-1,2-oxazole;N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethyl-3-methyl-5-propan-2-ylpyrazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;1-methyl-3,5-di(propan-2-yl)pyrazole;N-(1-methyl-5-propan-2-ylpyrazol-3-yl)acetamide;3-(4-propan-2-yl-1,2,5-oxadiazol-3-yl)propan-1-ol;5-propan-2-yl-1-propylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-ylthiophene;5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 162278389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).