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

C125H168BrF18N23O5S — CID 157221833

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;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
SMILESC=C1c2c(c(C(F)F)nn2C(C)C)C2CC12.CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)n1cc2c(c1C(F)F)C1CC1C2=O.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)c2c1CN(C)C2.CC(C)n1nc(C(C)(F)F)cc1Br.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.Cc1ccc2c(c1C)NC(=O)C2C(C)C
InChIInChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C12H14F2N2.C12H13F2NO.C11H15F3N2.C11H17F2N3.C11H16F2N2S.C10H15F3N2.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)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;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-5(2)15-4-8-9(10(15)12(13)14)6-3-7(6)11(8)16;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;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)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;1-5(2)13-7(9)4-6(12-13)8(3,10)11/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);5,7-8,12H,3-4H2,1-2H3;4-7,12H,3H2,1-2H3;6-7H,4-5H2,1-3H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);4-5H,1-3H3
InChIKeyATBXCTXAFHSEKN-UHFFFAOYSA-N
MW2526.81 g/mol
LogP33.85
Rot. Bonds18

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;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

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 (PubChem CID 157221833) has the molecular formula C125H168BrF18N23O5S and a molecular weight of 2526.81 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;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.

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;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
PubChem CID157221833
Molecular FormulaC125H168BrF18N23O5S
Molecular Weight2526.81 g/mol
Exact Mass2524.22
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;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
SMILESC=C1c2c(c(C(F)F)nn2C(C)C)C2CC12.CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)n1cc2c(c1C(F)F)C1CC1C2=O.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)c2c1CN(C)C2.CC(C)n1nc(C(C)(F)F)cc1Br.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.Cc1ccc2c(c1C)NC(=O)C2C(C)C
InChIInChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C12H14F2N2.C12H13F2NO.C11H15F3N2.C11H17F2N3.C11H16F2N2S.C10H15F3N2.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)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;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-5(2)15-4-8-9(10(15)12(13)14)6-3-7(6)11(8)16;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;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)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;1-5(2)13-7(9)4-6(12-13)8(3,10)11/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);5,7-8,12H,3-4H2,1-2H3;4-7,12H,3H2,1-2H3;6-7H,4-5H2,1-3H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);4-5H,1-3H3
InChIKeyATBXCTXAFHSEKN-UHFFFAOYSA-N
XLogP33.85
TPSA294.45 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002526.81
LogP ≤ 533.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

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;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 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;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
CID 158009975
CID 158009975
5-bromo-3-tert-butyl-1-propan-2-ylpyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 159298617
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
tert-butyl 1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-c]pyrazole-4-carboxylate;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(5-naphthalen-1-ylpyrimidin-4-yl)ethyl]acetamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160708189
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;6,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 161464258

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;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?
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;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) 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;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.
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;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?
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;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 is C=C1c2c(c(C(F)F)nn2C(C)C)C2CC12.CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)n1cc2c(c1C(F)F)C1CC1C2=O.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)c2c1CN(C)C2.CC(C)n1nc(C(C)(F)F)cc1Br.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.Cc1ccc2c(c1C)NC(=O)C2C(C)C.
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;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?
The InChIKey is ATBXCTXAFHSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C12H14F2N2.C12H13F2NO.C11H15F3N2.C11H17F2N3.C11H16F2N2S.C10H15F3N2.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)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;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-5(2)15-4-8-9(10(15)12(13)14)6-3-7(6)11(8)16;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;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)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;1-5(2)13-7(9)4-6(12-13)8(3,10)11/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);5,7-8,12H,3-4H2,1-2H3;4-7,12H,3H2,1-2H3;6-7H,4-5H2,1-3H3;7H,5-6H2,1-4H3;7H,4-6H2,1-3H3;5-7H,1-4H3;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;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?
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 has a molecular weight of 2526.81 g/mol, XLogP of 33.85, 18 rotatable bonds, 3 hydrogen bond donors, and 26 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;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 is sourced from PubChem (CID 157221833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).