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

C185H290F5N29O4S3 — CID 162282015

IUPAC1-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
SMILESCC(C)c1c2c(nn1C)CCCC2.CC(C)c1c[nH]c(-c2ccco2)c1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1cncs1.CC(C)c1cnn(C2CCCC2)c1.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1ccccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.COc1ccc(C)c(C(C)C)c1.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1
InChIInChI=1S/C11H15N3.2C11H18N2.C11H13NO.2C11H16O.C11H16S.C10H18N2.C9H14F2N2.C9H15FN2.3C9H16N2.C9H13N.C9H14S.C8H12F2N2.2C7H12N2.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;1-8(2)9-6-10(12-7-9)11-4-3-5-13-11;1-8(2)11-7-10(12-4)6-5-9(11)3;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;1-5-6-12-7-9(4)10(11-12)8(2)3;1-7(2)8-4-5-12-13(8)6-9(3,10)11;1-6(2)9-5-7(3)11-12(9)8(4)10;1-5-11-8(4)6-9(10-11)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(11-7)5-8(9)10;1-6(2)9-5-7(3)4-8-9;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;3-8,12H,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;2*6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-4,6,8H,5H2,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3
InChIKeyZDQRXOCGPNQCQG-UHFFFAOYSA-N
MW3175.74 g/mol
LogP52.91
Rot. Bonds37

About 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

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 (PubChem CID 162282015) has the molecular formula C185H290F5N29O4S3 and a molecular weight of 3175.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID162282015
Molecular FormulaC185H290F5N29O4S3
Molecular Weight3175.74 g/mol
Exact Mass3173.25
IUPAC Name1-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
SMILESCC(C)c1c2c(nn1C)CCCC2.CC(C)c1c[nH]c(-c2ccco2)c1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1cncs1.CC(C)c1cnn(C2CCCC2)c1.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1ccccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.COc1ccc(C)c(C(C)C)c1.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1
InChIInChI=1S/C11H15N3.2C11H18N2.C11H13NO.2C11H16O.C11H16S.C10H18N2.C9H14F2N2.C9H15FN2.3C9H16N2.C9H13N.C9H14S.C8H12F2N2.2C7H12N2.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;1-8(2)9-6-10(12-7-9)11-4-3-5-13-11;1-8(2)11-7-10(12-4)6-5-9(11)3;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;1-5-6-12-7-9(4)10(11-12)8(2)3;1-7(2)8-4-5-12-13(8)6-9(3,10)11;1-6(2)9-5-7(3)11-12(9)8(4)10;1-5-11-8(4)6-9(10-11)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(11-7)5-8(9)10;1-6(2)9-5-7(3)4-8-9;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;3-8,12H,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;2*6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-4,6,8H,5H2,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3
InChIKeyZDQRXOCGPNQCQG-UHFFFAOYSA-N
XLogP52.91
TPSA336.79 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds37
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003175.74
LogP ≤ 552.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze 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 with MolForge

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Related Compounds

CID 159320113
CID 159320113
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
1-benzofuran;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;bis(N-ethyl-N-methyl-1,3-thiazol-2-amine);2-fluoro-3-methylpyridine;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;bis(2-methylpyridine);tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;1-propylpyrazole;pyridin-2-amine;1H-pyrido[3,4-b][1,4]thiazine;4-(trifluoromethyl)pyridine
CID 160409954
1-benzofuran;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N,N-dimethylpyrazin-2-amine;3,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;bis(N-ethyl-N-methyl-1,3-thiazol-2-amine);3-ethylpyridine;2-fluoro-3-methylpyridine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1-hydroxypyridin-1-ium;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;2-methylpyrazine;N-methylpyridin-2-amine;bis(2-methylpyridine);bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-piperidin-1-yl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;5-(trifluoromethyl)-1H-pyrazole;4-(trifluoromethyl)pyridine
CID 160487232
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
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
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
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
8aH-acridin-9-one;1-benzothiophene;1,3-bis(trifluoromethyl)benzene;dibenzofuran;dibenzothiophene;3,5-diphenyl-1H-pyrazole;2,4-diphenyl-1,3,5-triazine;isoquinoline;1,8-naphthyridine;1,2,4-oxadiazole;1,3-oxazole;1-phenyltriazole;1H-pyrazolo[4,5-b]pyridine;pyridazine;1H-pyrrolo[3,2-c]pyridine;quinoline;3H-quinolin-4-one;2H-tetrazole;1,3,4-thiadiazole;1,3,5-triazine;1H-1,2,4-triazole;2,2,2-trifluoro-1-phenylethanone
CID 162300074
2-[4-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-2-(4-naphthalen-1-yl-5-phenyl-1H-pyrazol-3-yl)-6-(1,2-oxazol-3-yl)-3-phenylsulfanyl-6-(1H-pyrrol-2-yl)-3-(1H-tetrazol-5-yl)-5-(1,3-thiazol-2-yl)-4-(1H-triazol-4-yl)piperidin-1-yl]-1,3-oxazole
CID 141454607

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1c2c(nn1C)CCCC2.CC(C)c1c[nH]c(-c2ccco2)c1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1cncs1.CC(C)c1cnn(C2CCCC2)c1.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCOc1ccccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.COc1ccc(C)c(C(C)C)c1.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1.
What is the InChIKey of 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?
The InChIKey is ZDQRXOCGPNQCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.2C11H18N2.C11H13NO.2C11H16O.C11H16S.C10H18N2.C9H14F2N2.C9H15FN2.3C9H16N2.C9H13N.C9H14S.C8H12F2N2.2C7H12N2.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;1-8(2)9-6-10(12-7-9)11-4-3-5-13-11;1-8(2)11-7-10(12-4)6-5-9(11)3;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;1-5-6-12-7-9(4)10(11-12)8(2)3;1-7(2)8-4-5-12-13(8)6-9(3,10)11;1-6(2)9-5-7(3)11-12(9)8(4)10;1-5-11-8(4)6-9(10-11)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(11-7)5-8(9)10;1-6(2)9-5-7(3)4-8-9;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;3-8,12H,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;2*6-7H,5H2,1-4H3;5-6,8H,4,7H2,1-3H3;4-7H,1-3H3;5-7H,4H2,1-3H3;3-4,6,8H,5H2,1-2H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3175.74 g/mol, XLogP of 52.91, 37 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162282015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).