3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole

C213H326FN31S2 — CID 161434329

IUPAC3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole
SMILESCC(C)C1=CCc2ccccc21.CC(C)C1=NCc2ccccc21.CC(C)c1c2c(nn1C(C)C)CCC2.CC(C)c1c2c(nn1C(C)C)CCCC2.CC(C)c1cc(C2CC2)cn1C.CC(C)c1cc(C2CC2)nn1C(C)C.CC(C)c1cc(C2CCC2)nn1C.CC(C)c1cccc2ncccc12.CC(C)c1ccn2ccccc12.CC(C)c1cn(C)nc1C(C)C.CC(C)c1cn(C)nc1C(C)C.CC(C)c1cn(C)nc1C1CC1.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nn(C)c2cc(F)ccc12.CCn1nc(C2CC2)cc1C(C)C.CCn1nc2c(c1C(C)C)CCC2.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nn(C)c(C(C)C)c1C
InChIInChI=1S/C13H22N2.2C12H20N2.C12H13N.C12H14.C11H13FN2.3C11H18N2.C11H17N.2C11H13N.C10H16N2.3C10H18N2.C10H17NS.C9H16N2.C9H13N.C7H11NS/c1-9(2)13-11-7-5-6-8-12(11)14-15(13)10(3)4;1-8(2)12-7-11(10-5-6-10)13-14(12)9(3)4;1-8(2)12-10-6-5-7-11(10)13-14(12)9(3)4;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)11-9-5-4-8(12)6-10(9)14(3)13-11;1-8(2)11-7-10(12-13(11)3)9-5-4-6-9;1-4-13-11(8(2)3)7-10(12-13)9-5-6-9;1-4-13-11(8(2)3)9-6-5-7-10(9)12-13;1-8(2)11-6-10(7-12(11)3)9-4-5-9;1-9(2)10-6-8-12-7-4-3-5-11(10)12;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-7(2)9-6-12(3)11-10(9)8-4-5-8;2*1-7(2)9-6-12(5)11-10(9)8(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-7(3)8(4)10-11(9)5;1-7(2)9-4-8(3)5-10-6-9;1-5(2)7-8-6(3)4-9-7/h9-10H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3;3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-7H,1-3H3;2*7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;6-8H,4-5H2,1-3H3;3*6-8H,1-5H3;6-7H,1-5H3;6H,1-5H3;4-7H,1-3H3;4-5H,1-3H3
InChIKeyVYLCBYKRYVHFAJ-UHFFFAOYSA-N
MW3404.30 g/mol
LogP57.82
Rot. Bonds34

About 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole

3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole (PubChem CID 161434329) has the molecular formula C213H326FN31S2 and a molecular weight of 3404.30 g/mol. Its IUPAC name is 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole
PubChem CID161434329
Molecular FormulaC213H326FN31S2
Molecular Weight3404.30 g/mol
Exact Mass3401.59
IUPAC Name3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole
SMILESCC(C)C1=CCc2ccccc21.CC(C)C1=NCc2ccccc21.CC(C)c1c2c(nn1C(C)C)CCC2.CC(C)c1c2c(nn1C(C)C)CCCC2.CC(C)c1cc(C2CC2)cn1C.CC(C)c1cc(C2CC2)nn1C(C)C.CC(C)c1cc(C2CCC2)nn1C.CC(C)c1cccc2ncccc12.CC(C)c1ccn2ccccc12.CC(C)c1cn(C)nc1C(C)C.CC(C)c1cn(C)nc1C(C)C.CC(C)c1cn(C)nc1C1CC1.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nn(C)c2cc(F)ccc12.CCn1nc(C2CC2)cc1C(C)C.CCn1nc2c(c1C(C)C)CCC2.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nn(C)c(C(C)C)c1C
InChIInChI=1S/C13H22N2.2C12H20N2.C12H13N.C12H14.C11H13FN2.3C11H18N2.C11H17N.2C11H13N.C10H16N2.3C10H18N2.C10H17NS.C9H16N2.C9H13N.C7H11NS/c1-9(2)13-11-7-5-6-8-12(11)14-15(13)10(3)4;1-8(2)12-7-11(10-5-6-10)13-14(12)9(3)4;1-8(2)12-10-6-5-7-11(10)13-14(12)9(3)4;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)11-9-5-4-8(12)6-10(9)14(3)13-11;1-8(2)11-7-10(12-13(11)3)9-5-4-6-9;1-4-13-11(8(2)3)7-10(12-13)9-5-6-9;1-4-13-11(8(2)3)9-6-5-7-10(9)12-13;1-8(2)11-6-10(7-12(11)3)9-4-5-9;1-9(2)10-6-8-12-7-4-3-5-11(10)12;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-7(2)9-6-12(3)11-10(9)8-4-5-8;2*1-7(2)9-6-12(5)11-10(9)8(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-7(3)8(4)10-11(9)5;1-7(2)9-4-8(3)5-10-6-9;1-5(2)7-8-6(3)4-9-7/h9-10H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3;3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-7H,1-3H3;2*7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;6-8H,4-5H2,1-3H3;3*6-8H,1-5H3;6-7H,1-5H3;6H,1-5H3;4-7H,1-3H3;4-5H,1-3H3
InChIKeyVYLCBYKRYVHFAJ-UHFFFAOYSA-N
XLogP57.82
TPSA287.10 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003404.30
LogP ≤ 557.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole?
The IUPAC name of 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole (CID 161434329) is 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole.
What is the SMILES notation for 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole?
The canonical SMILES for 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole is CC(C)C1=CCc2ccccc21.CC(C)C1=NCc2ccccc21.CC(C)c1c2c(nn1C(C)C)CCC2.CC(C)c1c2c(nn1C(C)C)CCCC2.CC(C)c1cc(C2CC2)cn1C.CC(C)c1cc(C2CC2)nn1C(C)C.CC(C)c1cc(C2CCC2)nn1C.CC(C)c1cccc2ncccc12.CC(C)c1ccn2ccccc12.CC(C)c1cn(C)nc1C(C)C.CC(C)c1cn(C)nc1C(C)C.CC(C)c1cn(C)nc1C1CC1.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nn(C)c2cc(F)ccc12.CCn1nc(C2CC2)cc1C(C)C.CCn1nc2c(c1C(C)C)CCC2.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nn(C)c(C(C)C)c1C.
What is the InChIKey of 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole?
The InChIKey is VYLCBYKRYVHFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.2C12H20N2.C12H13N.C12H14.C11H13FN2.3C11H18N2.C11H17N.2C11H13N.C10H16N2.3C10H18N2.C10H17NS.C9H16N2.C9H13N.C7H11NS/c1-9(2)13-11-7-5-6-8-12(11)14-15(13)10(3)4;1-8(2)12-7-11(10-5-6-10)13-14(12)9(3)4;1-8(2)12-10-6-5-7-11(10)13-14(12)9(3)4;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)11-9-5-4-8(12)6-10(9)14(3)13-11;1-8(2)11-7-10(12-13(11)3)9-5-4-6-9;1-4-13-11(8(2)3)7-10(12-13)9-5-6-9;1-4-13-11(8(2)3)9-6-5-7-10(9)12-13;1-8(2)11-6-10(7-12(11)3)9-4-5-9;1-9(2)10-6-8-12-7-4-3-5-11(10)12;1-8(2)11-10-6-4-3-5-9(10)7-12-11;1-7(2)9-6-12(3)11-10(9)8-4-5-8;2*1-7(2)9-6-12(5)11-10(9)8(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-7(3)8(4)10-11(9)5;1-7(2)9-4-8(3)5-10-6-9;1-5(2)7-8-6(3)4-9-7/h9-10H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3;8-9H,5-7H2,1-4H3;3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-7H,1-3H3;2*7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3;3-6,8H,7H2,1-2H3;6-8H,4-5H2,1-3H3;3*6-8H,1-5H3;6-7H,1-5H3;6H,1-5H3;4-7H,1-3H3;4-5H,1-3H3.
What are the key properties of 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole?
3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole has a molecular weight of 3404.30 g/mol, XLogP of 57.82, 34 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methyl-5-propan-2-ylpyrazole;3-cyclopropyl-1,5-di(propan-2-yl)pyrazole;3-cyclopropyl-1-ethyl-5-propan-2-ylpyrazole;3-cyclopropyl-1-methyl-4-propan-2-ylpyrazole;4-cyclopropyl-1-methyl-2-propan-2-ylpyrrole;2,3-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;2,3-di(propan-2-yl)-4,5,6,7-tetrahydroindazole;2-ethyl-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole;6-fluoro-1-methyl-3-propan-2-ylindazole;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1H-indene;1-propan-2-ylindolizine;3-propan-2-yl-1H-isoindole;5-propan-2-ylquinoline;1,3,4-trimethyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 161434329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).