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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one

C151H195BrF33N30O7S+ — CID 157156443

IUPAC5-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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one
SMILESCC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)n1c2c(c(C(F)(F)F)[n+]1C)CSCC2.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(C)C)cc1C(F)(F)F.CC(C)n1nc(C(F)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(F)(F)F)c2c1CC(F)(F)C2.CC(C)n1nc(C(F)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(F)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(F)(F)F)cc1Br.CC(C)n1nc(C(F)F)c2c1C(=O)C1CC21.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/C14H20F3N3O2.C13H15NO.C13H17NO.C11H16F3N2S.C11H15F3N2.C11H17F3N2.2C11H12F2N2O.C10H11F5N2.C10H14F3N3.C10H11F3N2O.C10H15F3N2.C9H12N4.C7H8BrF3N2/c1-8(2)20-10-7-19(12(21)22-13(3,4)5)6-9(10)11(18-20)14(15,16)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;1-7(2)16-9-4-5-17-6-8(9)10(15(16)3)11(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(11(12,13)14)6-8(15-16)10(3,4)5;1-4(2)15-9-7(8(14-15)11(12)13)5-3-6(5)10(9)16;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-5(2)17-7-4-9(11,12)3-6(7)8(16-17)10(13,14)15;1-6(2)16-8-5-15(3)4-7(8)9(14-16)10(11,12)13;1-5(2)15-8-4-6(16)3-7(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/h8H,6-7H2,1-5H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);7H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,1-5H3;2*4-6,11H,3H2,1-2H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;5H,3-4H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3/q;;;+1;;;;;;;;;;
InChIKeyOROJWUZTJNTAHS-UHFFFAOYSA-N
MW3281.33 g/mol
LogP40.62
Rot. Bonds17

About 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one

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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one (PubChem CID 157156443) has the molecular formula C151H195BrF33N30O7S+ and a molecular weight of 3281.33 g/mol. Its IUPAC name is 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one.

Molecular Properties

Compound Name5-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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one
PubChem CID157156443
Molecular FormulaC151H195BrF33N30O7S+
Molecular Weight3281.33 g/mol
Exact Mass3278.42
IUPAC Name5-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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one
SMILESCC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)n1c2c(c(C(F)(F)F)[n+]1C)CSCC2.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(C)C)cc1C(F)(F)F.CC(C)n1nc(C(F)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(F)(F)F)c2c1CC(F)(F)C2.CC(C)n1nc(C(F)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(F)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(F)(F)F)cc1Br.CC(C)n1nc(C(F)F)c2c1C(=O)C1CC21.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/C14H20F3N3O2.C13H15NO.C13H17NO.C11H16F3N2S.C11H15F3N2.C11H17F3N2.2C11H12F2N2O.C10H11F5N2.C10H14F3N3.C10H11F3N2O.C10H15F3N2.C9H12N4.C7H8BrF3N2/c1-8(2)20-10-7-19(12(21)22-13(3,4)5)6-9(10)11(18-20)14(15,16)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;1-7(2)16-9-4-5-17-6-8(9)10(15(16)3)11(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(11(12,13)14)6-8(15-16)10(3,4)5;1-4(2)15-9-7(8(14-15)11(12)13)5-3-6(5)10(9)16;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-5(2)17-7-4-9(11,12)3-6(7)8(16-17)10(13,14)15;1-6(2)16-8-5-15(3)4-7(8)9(14-16)10(11,12)13;1-5(2)15-8-4-6(16)3-7(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/h8H,6-7H2,1-5H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);7H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,1-5H3;2*4-6,11H,3H2,1-2H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;5H,3-4H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3/q;;;+1;;;;;;;;;;
InChIKeyOROJWUZTJNTAHS-UHFFFAOYSA-N
XLogP40.62
TPSA385.93 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds17
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003281.33
LogP ≤ 540.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one?
The IUPAC name of 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one (CID 157156443) is 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one.
What is the SMILES notation for 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one?
The canonical SMILES for 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one is CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)n1c2c(c(C(F)(F)F)[n+]1C)CSCC2.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(C)C)cc1C(F)(F)F.CC(C)n1nc(C(F)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(F)(F)F)c2c1CC(F)(F)C2.CC(C)n1nc(C(F)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(F)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(F)(F)F)cc1Br.CC(C)n1nc(C(F)F)c2c1C(=O)C1CC21.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 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one?
The InChIKey is OROJWUZTJNTAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2.C13H15NO.C13H17NO.C11H16F3N2S.C11H15F3N2.C11H17F3N2.2C11H12F2N2O.C10H11F5N2.C10H14F3N3.C10H11F3N2O.C10H15F3N2.C9H12N4.C7H8BrF3N2/c1-8(2)20-10-7-19(12(21)22-13(3,4)5)6-9(10)11(18-20)14(15,16)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;1-7(2)16-9-4-5-17-6-8(9)10(15(16)3)11(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(11(12,13)14)6-8(15-16)10(3,4)5;1-4(2)15-9-7(8(14-15)11(12)13)5-3-6(5)10(9)16;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-5(2)17-7-4-9(11,12)3-6(7)8(16-17)10(13,14)15;1-6(2)16-8-5-15(3)4-7(8)9(14-16)10(11,12)13;1-5(2)15-8-4-6(16)3-7(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/h8H,6-7H2,1-5H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);7H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,1-5H3;2*4-6,11H,3H2,1-2H3;5H,3-4H2,1-2H3;6H,4-5H2,1-3H3;5H,3-4H2,1-2H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3/q;;;+1;;;;;;;;;;.
What are the key properties of 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one?
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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one has a molecular weight of 3281.33 g/mol, XLogP of 40.62, 17 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;5,5-difluoro-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[d]pyrazole;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;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole;2-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-2-ium;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)-4,6-dihydrocyclopenta[d]pyrazol-5-one is sourced from PubChem (CID 157156443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).