5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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

C153H198BrF19N26O6S — CID 157335990

IUPAC5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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
SMILESC=C1Nc2c(ccc(C)c2C)C1C(C)C.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)c1cccc2ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(F)F)c2c1CCSC2.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(C)(F)F)c2ccccc21.CC(C)n1nc(C(C)(F)F)cc1Br.CC(C)n1nc2c(c1C(F)F)C1CC1C2=O.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.COC1c2c(c(C(F)F)nn2C(C)C)C2CC21
InChIInChI=1S/C15H23F2N3O2.C14H19N.C13H15NO.C13H14.C12H17F2N3O.C12H16F2N2O.2C12H14F2N2.C11H15F3N2.C11H12F2N2O.C11H16F2N2S.C9H12N4.C8H11BrF2N2/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)13-11(5)15-14-10(4)9(3)6-7-12(13)14;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)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)16-10-8(9(15-16)12(13)14)6-4-7(6)11(10)17-3;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-8(2)16-10-7-5-4-6-9(10)11(15-16)12(3,13)14;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-5(2)13-7(9)4-6(12-13)8(3,10)11/h9H,7-8H2,1-6H3;6-8,13,15H,5H2,1-4H3;3-6,8,10H,7H2,1-2H3,(H,14,15);3-10H,1-2H3;7H,5-6H2,1-4H3;5-7,11-12H,4H2,1-3H3;5,7-8,12H,3-4H2,1-2H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;4-6,11H,3H2,1-2H3;7H,4-6H2,1-3H3;3-6H,1-2H3,(H2,10,11,12);4-5H,1-3H3
InChIKeyBFVOHXMQZFWWCB-UHFFFAOYSA-N
MW2970.38 g/mol
LogP41.45
Rot. Bonds22

About 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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

5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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 (PubChem CID 157335990) has the molecular formula C153H198BrF19N26O6S and a molecular weight of 2970.38 g/mol. Its IUPAC name is 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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.

Molecular Properties

Compound Name5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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
PubChem CID157335990
Molecular FormulaC153H198BrF19N26O6S
Molecular Weight2970.38 g/mol
Exact Mass2967.46
IUPAC Name5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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
SMILESC=C1Nc2c(ccc(C)c2C)C1C(C)C.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)c1cccc2ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(F)F)c2c1CCSC2.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(C)(F)F)c2ccccc21.CC(C)n1nc(C(C)(F)F)cc1Br.CC(C)n1nc2c(c1C(F)F)C1CC1C2=O.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.COC1c2c(c(C(F)F)nn2C(C)C)C2CC21
InChIInChI=1S/C15H23F2N3O2.C14H19N.C13H15NO.C13H14.C12H17F2N3O.C12H16F2N2O.2C12H14F2N2.C11H15F3N2.C11H12F2N2O.C11H16F2N2S.C9H12N4.C8H11BrF2N2/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)13-11(5)15-14-10(4)9(3)6-7-12(13)14;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)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)16-10-8(9(15-16)12(13)14)6-4-7(6)11(10)17-3;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-8(2)16-10-7-5-4-6-9(10)11(15-16)12(3,13)14;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-5(2)13-7(9)4-6(12-13)8(3,10)11/h9H,7-8H2,1-6H3;6-8,13,15H,5H2,1-4H3;3-6,8,10H,7H2,1-2H3,(H,14,15);3-10H,1-2H3;7H,5-6H2,1-4H3;5-7,11-12H,4H2,1-3H3;5,7-8,12H,3-4H2,1-2H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;4-6,11H,3H2,1-2H3;7H,4-6H2,1-3H3;3-6H,1-2H3,(H2,10,11,12);4-5H,1-3H3
InChIKeyBFVOHXMQZFWWCB-UHFFFAOYSA-N
XLogP41.45
TPSA334.39 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002970.38
LogP ≤ 541.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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 with MolForge

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Related Compounds

CID 157156443
CID 157156443
5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;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-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;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-8-azatricyclo[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;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 157221833
CID 158009975
CID 158009975
CID 159756559
CID 159756559
5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-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;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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-[1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
CID 159989352
CID 160047858
CID 160047858

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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?
The IUPAC name of 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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 (CID 157335990) is 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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.
What is the SMILES notation for 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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?
The canonical SMILES for 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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 is C=C1Nc2c(ccc(C)c2C)C1C(C)C.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)c1cccc2ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(F)F)c2c1CCSC2.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(C)(F)F)c2ccccc21.CC(C)n1nc(C(C)(F)F)cc1Br.CC(C)n1nc2c(c1C(F)F)C1CC1C2=O.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.COC1c2c(c(C(F)F)nn2C(C)C)C2CC21.
What is the InChIKey of 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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?
The InChIKey is BFVOHXMQZFWWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2.C14H19N.C13H15NO.C13H14.C12H17F2N3O.C12H16F2N2O.2C12H14F2N2.C11H15F3N2.C11H12F2N2O.C11H16F2N2S.C9H12N4.C8H11BrF2N2/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)13-11(5)15-14-10(4)9(3)6-7-12(13)14;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)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)16-10-8(9(15-16)12(13)14)6-4-7(6)11(10)17-3;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-8(2)16-10-7-5-4-6-9(10)11(15-16)12(3,13)14;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-5(2)13-7(9)4-6(12-13)8(3,10)11/h9H,7-8H2,1-6H3;6-8,13,15H,5H2,1-4H3;3-6,8,10H,7H2,1-2H3,(H,14,15);3-10H,1-2H3;7H,5-6H2,1-4H3;5-7,11-12H,4H2,1-3H3;5,7-8,12H,3-4H2,1-2H3;4-8H,1-3H3;6-7H,4-5H2,1-3H3;4-6,11H,3H2,1-2H3;7H,4-6H2,1-3H3;3-6H,1-2H3,(H2,10,11,12);4-5H,1-3H3.
What are the key properties of 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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?
5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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 has a molecular weight of 2970.38 g/mol, XLogP of 41.45, 22 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylindazole;9-(difluoromethyl)-5-methoxy-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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-2-methylidene-3-propan-2-yl-1,3-dihydroindole;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 is sourced from PubChem (CID 157335990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).