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

C203H326F5N37O6S4 — CID 162278390

IUPAC3-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
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1c2c(nn1C)CCCC2.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1ccsc1.CC(C)c1cncs1.CC(C)c1cnn(C2CCCC2)c1.CCCCN1NON=C1C(C)C.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.CNC(=O)c1cc(C(C)C)nn1C.COc1ccc(C)c(C(C)C)c1.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1C(C)C.Cc1noc(C(C)C)c1C
InChIInChI=1S/C11H15N3.2C11H18N2.C11H16O.C11H16S.C10H12N2O.2C10H18N2.C9H14F2N2.C9H15FN2.2C9H15N3O.3C9H16N2.C9H13N.C9H14S.C8H12F2N2.C8H17N3O.C8H13NO.C7H10S.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)11-7-10(12-4)6-5-9(11)3;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)10-9(5)6-11-12(10)8(3)4;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;1-6(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;1-5-11-8(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;1-4-5-6-11-8(7(2)3)9-12-10-11;1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-3-4-8-5-7;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;5-8H,1-4H3;7-8H,3-6H2,1-2H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3;7-8H,5-6H2,1-4H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);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;7,10H,4-6H2,1-3H3;5H,1-4H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyULQLPQQNSJNPJO-UHFFFAOYSA-N
MW3604.35 g/mol
LogP55.47
Rot. Bonds43

About 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

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 (PubChem CID 162278390) has the molecular formula C203H326F5N37O6S4 and a molecular weight of 3604.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID162278390
Molecular FormulaC203H326F5N37O6S4
Molecular Weight3604.35 g/mol
Exact Mass3601.51
IUPAC Name3-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
SMILESCC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1c2c(nn1C)CCCC2.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1ccsc1.CC(C)c1cncs1.CC(C)c1cnn(C2CCCC2)c1.CCCCN1NON=C1C(C)C.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.CNC(=O)c1cc(C(C)C)nn1C.COc1ccc(C)c(C(C)C)c1.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1C(C)C.Cc1noc(C(C)C)c1C
InChIInChI=1S/C11H15N3.2C11H18N2.C11H16O.C11H16S.C10H12N2O.2C10H18N2.C9H14F2N2.C9H15FN2.2C9H15N3O.3C9H16N2.C9H13N.C9H14S.C8H12F2N2.C8H17N3O.C8H13NO.C7H10S.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)11-7-10(12-4)6-5-9(11)3;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)10-9(5)6-11-12(10)8(3)4;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;1-6(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;1-5-11-8(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;1-4-5-6-11-8(7(2)3)9-12-10-11;1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-3-4-8-5-7;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;5-8H,1-4H3;7-8H,3-6H2,1-2H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3;7-8H,5-6H2,1-4H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);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;7,10H,4-6H2,1-3H3;5H,1-4H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyULQLPQQNSJNPJO-UHFFFAOYSA-N
XLogP55.47
TPSA442.47 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds43
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003604.35
LogP ≤ 555.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc(C(C)C)n(C)n1.CC(C)c1c2c(nn1C)CCCC2.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1cc2c(s1)CCCC2.CC(C)c1ccn(CC(F)F)n1.CC(C)c1ccnn1CC(C)(F)F.CC(C)c1ccsc1.CC(C)c1cncs1.CC(C)c1cnn(C2CCCC2)c1.CCCCN1NON=C1C(C)C.CCCn1cc(C)c(C(C)C)n1.CCCn1nccc1C(C)C.CCc1ccc(C(C)C)s1.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.CNC(=O)c1cc(C(C)C)nn1C.COc1ccc(C)c(C(C)C)c1.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(C)F)n1.Cc1cnccc1C(C)C.Cc1cnn(C(C)C)c1C(C)C.Cc1noc(C(C)C)c1C.
What is the InChIKey of 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?
The InChIKey is ULQLPQQNSJNPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.2C11H18N2.C11H16O.C11H16S.C10H12N2O.2C10H18N2.C9H14F2N2.C9H15FN2.2C9H15N3O.3C9H16N2.C9H13N.C9H14S.C8H12F2N2.C8H17N3O.C8H13NO.C7H10S.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)11-7-10(12-4)6-5-9(11)3;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)10-9(5)6-11-12(10)8(3)4;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;1-6(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;1-5-11-8(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;1-4-5-6-11-8(7(2)3)9-12-10-11;1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-3-4-8-5-7;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;5-8H,1-4H3;7-8H,3-6H2,1-2H3;3-7H,1-2H3,(H,11,12);6-8H,1-5H3;7-8H,5-6H2,1-4H3;4-5,7H,6H2,1-3H3;5-6,8H,1-4H3;5-6H,1-4H3,(H,10,13);5-6H,1-4H3,(H,10,11,13);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;7,10H,4-6H2,1-3H3;5H,1-4H3;3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3604.35 g/mol, XLogP of 55.47, 43 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162278390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).