1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole

C166H222Cl3F13N24O3 — CID 160822284

IUPAC1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole
SMILESC.C=C(C)c1cn(C(C)C)c2c(CC)cccc12.C=C(NC)c1nc2c(C)cccc2n1C(C)C.CC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1.CC(C)c1cc(C(=O)NC2CC2)n(C(C)C)n1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Cl)c1.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc2cnccc21.CC(C)n1cnc2cc(Cl)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC1=C(C(C)C)c2cc(F)ccc2C1.COC(=O)c1cc(C(C)C)n(C(C)C)n1.Cc1cc2c(ccn2C)cn1.Cc1cn(C(C)C)c(C)c1C
InChIInChI=1S/C16H21N.C14H19N3.C13H14F3N.C13H15F.C13H21N3O.C11H16F2N2.C11H18N2O2.C10H10Cl2N2.C10H14F3N3.C10H12N2.C10H17N.C9H11Cl.C9H11F.C9H10N2.C7H9F3N2.CH4/c1-6-13-8-7-9-14-15(11(2)3)10-17(12(4)5)16(13)14;1-9(2)17-12-8-6-7-10(3)13(12)16-14(17)11(4)15-5;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-8(2)13-9(3)6-10-4-5-11(14)7-12(10)13;1-8(2)11-7-12(16(15-11)9(3)4)13(17)14-10-5-6-10;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-7(2)10-6-9(11(14)15-5)12-13(10)8(3)4;1-6(2)14-5-13-9-3-7(11)8(12)4-10(9)14;1-6(2)16-4-3-8-7(5-16)9(15-14-8)10(11,12)13;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-7(2)11-6-8(3)9(4)10(11)5;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-7-5-9-8(6-10-7)3-4-11(9)2;1-5(2)12-4-3-6(11-12)7(8,9)10;/h7-10,12H,2,6H2,1,3-5H3;6-9,15H,4H2,1-3,5H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;7-10H,5-6H2,1-4H3,(H,14,17);6-8H,4-5H2,1-3H3;6-8H,1-5H3;3-6H,1-2H3;6H,3-5H2,1-2H3,(H,14,15);3-8H,1-2H3;6-7H,1-5H3;2*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;1H4
InChIKeySFRXSAVBDBSTEY-UHFFFAOYSA-N
MW2955.10 g/mol
LogP47.52
Rot. Bonds25

About 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole

1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole (PubChem CID 160822284) has the molecular formula C166H222Cl3F13N24O3 and a molecular weight of 2955.10 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole
PubChem CID160822284
Molecular FormulaC166H222Cl3F13N24O3
Molecular Weight2955.10 g/mol
Exact Mass2951.68
IUPAC Name1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole
SMILESC.C=C(C)c1cn(C(C)C)c2c(CC)cccc12.C=C(NC)c1nc2c(C)cccc2n1C(C)C.CC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1.CC(C)c1cc(C(=O)NC2CC2)n(C(C)C)n1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Cl)c1.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc2cnccc21.CC(C)n1cnc2cc(Cl)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC1=C(C(C)C)c2cc(F)ccc2C1.COC(=O)c1cc(C(C)C)n(C(C)C)n1.Cc1cc2c(ccn2C)cn1.Cc1cn(C(C)C)c(C)c1C
InChIInChI=1S/C16H21N.C14H19N3.C13H14F3N.C13H15F.C13H21N3O.C11H16F2N2.C11H18N2O2.C10H10Cl2N2.C10H14F3N3.C10H12N2.C10H17N.C9H11Cl.C9H11F.C9H10N2.C7H9F3N2.CH4/c1-6-13-8-7-9-14-15(11(2)3)10-17(12(4)5)16(13)14;1-9(2)17-12-8-6-7-10(3)13(12)16-14(17)11(4)15-5;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-8(2)13-9(3)6-10-4-5-11(14)7-12(10)13;1-8(2)11-7-12(16(15-11)9(3)4)13(17)14-10-5-6-10;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-7(2)10-6-9(11(14)15-5)12-13(10)8(3)4;1-6(2)14-5-13-9-3-7(11)8(12)4-10(9)14;1-6(2)16-4-3-8-7(5-16)9(15-14-8)10(11,12)13;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-7(2)11-6-8(3)9(4)10(11)5;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-7-5-9-8(6-10-7)3-4-11(9)2;1-5(2)12-4-3-6(11-12)7(8,9)10;/h7-10,12H,2,6H2,1,3-5H3;6-9,15H,4H2,1-3,5H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;7-10H,5-6H2,1-4H3,(H,14,17);6-8H,4-5H2,1-3H3;6-8H,1-5H3;3-6H,1-2H3;6H,3-5H2,1-2H3,(H,14,15);3-8H,1-2H3;6-7H,1-5H3;2*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;1H4
InChIKeySFRXSAVBDBSTEY-UHFFFAOYSA-N
XLogP47.52
TPSA256.70 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002955.10
LogP ≤ 547.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole with MolForge

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Related Compounds

1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 157536981
N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 158424454
1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;N,4-dimethyl-1-propan-2-ylbenzimidazole-2-carboxamide;1,6-dimethylpyrrolo[3,2-c]pyridine;1,5-di(propan-2-yl)pyrazole-3-carboxylic acid;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-propan-2-ylpyrrolo[3,2-c]pyridine;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 159253748
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5,6-dichlorobenzimidazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-fluoro-2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 161072104
tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 161138220
2-(5-chloro-2-cyclopropylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-cyclopropylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-cyclopropyl-5-(trifluoromethyl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethyl 2-[4-[[2-(2-cyclopropylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]-5-methylpyrazole-3-carboxylate;2-(2-fluoro-6-propan-2-ylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167533253

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole?
The IUPAC name of 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole (CID 160822284) is 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole.
What is the SMILES notation for 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole?
The canonical SMILES for 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole is C.C=C(C)c1cn(C(C)C)c2c(CC)cccc12.C=C(NC)c1nc2c(C)cccc2n1C(C)C.CC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1.CC(C)c1cc(C(=O)NC2CC2)n(C(C)C)n1.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Cl)c1.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc2cnccc21.CC(C)n1cnc2cc(Cl)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC1=C(C(C)C)c2cc(F)ccc2C1.COC(=O)c1cc(C(C)C)n(C(C)C)n1.Cc1cc2c(ccn2C)cn1.Cc1cn(C(C)C)c(C)c1C.
What is the InChIKey of 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole?
The InChIKey is SFRXSAVBDBSTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N.C14H19N3.C13H14F3N.C13H15F.C13H21N3O.C11H16F2N2.C11H18N2O2.C10H10Cl2N2.C10H14F3N3.C10H12N2.C10H17N.C9H11Cl.C9H11F.C9H10N2.C7H9F3N2.CH4/c1-6-13-8-7-9-14-15(11(2)3)10-17(12(4)5)16(13)14;1-9(2)17-12-8-6-7-10(3)13(12)16-14(17)11(4)15-5;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-8(2)13-9(3)6-10-4-5-11(14)7-12(10)13;1-8(2)11-7-12(16(15-11)9(3)4)13(17)14-10-5-6-10;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-7(2)10-6-9(11(14)15-5)12-13(10)8(3)4;1-6(2)14-5-13-9-3-7(11)8(12)4-10(9)14;1-6(2)16-4-3-8-7(5-16)9(15-14-8)10(11,12)13;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-7(2)11-6-8(3)9(4)10(11)5;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-7-5-9-8(6-10-7)3-4-11(9)2;1-5(2)12-4-3-6(11-12)7(8,9)10;/h7-10,12H,2,6H2,1,3-5H3;6-9,15H,4H2,1-3,5H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;7-10H,5-6H2,1-4H3,(H,14,17);6-8H,4-5H2,1-3H3;6-8H,1-5H3;3-6H,1-2H3;6H,3-5H2,1-2H3,(H,14,15);3-8H,1-2H3;6-7H,1-5H3;2*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;1H4.
What are the key properties of 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole?
1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole has a molecular weight of 2955.10 g/mol, XLogP of 47.52, 25 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole is sourced from PubChem (CID 160822284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).