5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

C158H206BrF24N29O7S — CID 158009975

IUPAC5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESC=C1c2c(c(C(F)F)nn2C(C)C)C2CC12.CC(=O)N1Cc2c(C(C)(F)F)nn(C(C)C)c2C1.CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)c1cccc2ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(F)(F)F)c2c1CCSC2.CC(C)n1nc(C(F)(F)F)cc1Br.CC(C)n1nc2c(c1C(F)F)C1CC1C2=O.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.Cc1ccc2c(c1C)NC(=O)C2C(C)C
InChIInChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C13H14.C12H17F2N3O.C12H14F2N2.C11H15F3N2.C11H17F2N3.C11H12F2N2O.C11H14F2N2O.C10H13F3N2S.C10H15F3N2.C9H12N4.C7H8BrF3N2/c1-9(2)20-11-8-19(13(21)22-14(3,4)5)7-10(11)12(18-20)15(6,16)17;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)15;1-7(2)11-10-6-5-8(3)9(4)12(10)14-13(11)15;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)17-10-6-16(8(3)18)5-9(10)11(15-17)12(4,13)14;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-6(2)15-9-5-7(16)4-8(9)10(14-15)11(3,12)13;1-6(2)15-8-3-4-16-5-7(8)9(14-15)10(11,12)13;1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-4(2)13-6(8)3-5(12-13)7(9,10)11/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);3-10H,1-2H3;7H,5-6H2,1-4H3;5,7-8,12H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3;7H,5-6H2,1-4H3;4-6,11H,3H2,1-2H3;6H,4-5H2,1-3H3;6H,3-5H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3
InChIKeyFETLNFCWWOZUKJ-UHFFFAOYSA-N
MW3191.50 g/mol
LogP41.71
Rot. Bonds21

About 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (PubChem CID 158009975) has the molecular formula C158H206BrF24N29O7S and a molecular weight of 3191.50 g/mol. Its IUPAC name is 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
PubChem CID158009975
Molecular FormulaC158H206BrF24N29O7S
Molecular Weight3191.50 g/mol
Exact Mass3188.52
IUPAC Name5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESC=C1c2c(c(C(F)F)nn2C(C)C)C2CC12.CC(=O)N1Cc2c(C(C)(F)F)nn(C(C)C)c2C1.CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)c1cccc2ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(F)(F)F)c2c1CCSC2.CC(C)n1nc(C(F)(F)F)cc1Br.CC(C)n1nc2c(c1C(F)F)C1CC1C2=O.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.Cc1ccc2c(c1C)NC(=O)C2C(C)C
InChIInChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C13H14.C12H17F2N3O.C12H14F2N2.C11H15F3N2.C11H17F2N3.C11H12F2N2O.C11H14F2N2O.C10H13F3N2S.C10H15F3N2.C9H12N4.C7H8BrF3N2/c1-9(2)20-11-8-19(13(21)22-14(3,4)5)7-10(11)12(18-20)15(6,16)17;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)15;1-7(2)11-10-6-5-8(3)9(4)12(10)14-13(11)15;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)17-10-6-16(8(3)18)5-9(10)11(15-17)12(4,13)14;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-6(2)15-9-5-7(16)4-8(9)10(14-15)11(3,12)13;1-6(2)15-8-3-4-16-5-7(8)9(14-15)10(11,12)13;1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-4(2)13-6(8)3-5(12-13)7(9,10)11/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);3-10H,1-2H3;7H,5-6H2,1-4H3;5,7-8,12H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3;7H,5-6H2,1-4H3;4-6,11H,3H2,1-2H3;6H,4-5H2,1-3H3;6H,3-5H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3
InChIKeyFETLNFCWWOZUKJ-UHFFFAOYSA-N
XLogP41.71
TPSA380.36 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds21
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003191.50
LogP ≤ 541.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The IUPAC name of 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (CID 158009975) is 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.
What is the SMILES notation for 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The canonical SMILES for 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is C=C1c2c(c(C(F)F)nn2C(C)C)C2CC12.CC(=O)N1Cc2c(C(C)(F)F)nn(C(C)C)c2C1.CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)c1cccc2ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(F)(F)F)c2c1CCSC2.CC(C)n1nc(C(F)(F)F)cc1Br.CC(C)n1nc2c(c1C(F)F)C1CC1C2=O.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.Cc1ccc2c(c1C)NC(=O)C2C(C)C.
What is the InChIKey of 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The InChIKey is FETLNFCWWOZUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C13H14.C12H17F2N3O.C12H14F2N2.C11H15F3N2.C11H17F2N3.C11H12F2N2O.C11H14F2N2O.C10H13F3N2S.C10H15F3N2.C9H12N4.C7H8BrF3N2/c1-9(2)20-11-8-19(13(21)22-14(3,4)5)7-10(11)12(18-20)15(6,16)17;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)15;1-7(2)11-10-6-5-8(3)9(4)12(10)14-13(11)15;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)17-10-6-16(8(3)18)5-9(10)11(15-17)12(4,13)14;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-6(2)15-9-5-7(16)4-8(9)10(14-15)11(3,12)13;1-6(2)15-8-3-4-16-5-7(8)9(14-15)10(11,12)13;1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-4(2)13-6(8)3-5(12-13)7(9,10)11/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);3-10H,1-2H3;7H,5-6H2,1-4H3;5,7-8,12H,3-4H2,1-2H3;6-7H,4-5H2,1-3H3;7H,5-6H2,1-4H3;4-6,11H,3H2,1-2H3;6H,4-5H2,1-3H3;6H,3-5H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3.
What are the key properties of 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole has a molecular weight of 3191.50 g/mol, XLogP of 41.71, 21 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;9-(difluoromethyl)-5-methylidene-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is sourced from PubChem (CID 158009975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).