3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate

C93H91Cl5F3N15O8 — CID 159723838

IUPAC3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1-c1ccc(Cl)cc1.CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1-c1cnccn1.Cc1c(-c2ccc(Cl)cc2)c(C(=O)N(C)CC(C)(C)C)n(-c2cnccn2)c1C(F)(F)F.Cc1cn(-c2cnccn2)c(C(=O)N(C)CC(C)(C)C)c1-c1ccc(Cl)cc1.Cc1cn(-c2cnccn2)c(C(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClF3N4O.C22H25ClN4O.C18H16ClN3O2.C16H12ClN3O2.C14H14ClNO2/c1-14-18(15-6-8-16(24)9-7-15)19(21(32)30(5)13-22(2,3)4)31(20(14)23(25,26)27)17-12-28-10-11-29-17;1-15-13-27(18-12-24-10-11-25-18)20(21(28)26(5)14-22(2,3)4)19(15)16-6-8-17(23)9-7-16;1-3-24-18(23)17-16(13-4-6-14(19)7-5-13)12(2)11-22(17)15-10-20-8-9-21-15;1-10-9-20(13-8-18-6-7-19-13)15(16(21)22)14(10)11-2-4-12(17)5-3-11;1-3-18-14(17)13-12(9(2)8-16-13)10-4-6-11(15)7-5-10/h6-12H,13H2,1-5H3;6-13H,14H2,1-5H3;4-11H,3H2,1-2H3;2-9H,1H3,(H,21,22);4-8,16H,3H2,1-2H3
InChIKeyNAJNHUVRFBHQHD-UHFFFAOYSA-N
MW1781.11 g/mol
LogP22.53
Rot. Bonds18

About 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate

3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate (PubChem CID 159723838) has the molecular formula C93H91Cl5F3N15O8 and a molecular weight of 1781.11 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate
PubChem CID159723838
Molecular FormulaC93H91Cl5F3N15O8
Molecular Weight1781.11 g/mol
Exact Mass1777.56
IUPAC Name3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(C)c1-c1ccc(Cl)cc1.CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1-c1cnccn1.Cc1c(-c2ccc(Cl)cc2)c(C(=O)N(C)CC(C)(C)C)n(-c2cnccn2)c1C(F)(F)F.Cc1cn(-c2cnccn2)c(C(=O)N(C)CC(C)(C)C)c1-c1ccc(Cl)cc1.Cc1cn(-c2cnccn2)c(C(=O)O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClF3N4O.C22H25ClN4O.C18H16ClN3O2.C16H12ClN3O2.C14H14ClNO2/c1-14-18(15-6-8-16(24)9-7-15)19(21(32)30(5)13-22(2,3)4)31(20(14)23(25,26)27)17-12-28-10-11-29-17;1-15-13-27(18-12-24-10-11-25-18)20(21(28)26(5)14-22(2,3)4)19(15)16-6-8-17(23)9-7-16;1-3-24-18(23)17-16(13-4-6-14(19)7-5-13)12(2)11-22(17)15-10-20-8-9-21-15;1-10-9-20(13-8-18-6-7-19-13)15(16(21)22)14(10)11-2-4-12(17)5-3-11;1-3-18-14(17)13-12(9(2)8-16-13)10-4-6-11(15)7-5-10/h6-12H,13H2,1-5H3;6-13H,14H2,1-5H3;4-11H,3H2,1-2H3;2-9H,1H3,(H,21,22);4-8,16H,3H2,1-2H3
InChIKeyNAJNHUVRFBHQHD-UHFFFAOYSA-N
XLogP22.53
TPSA269.15 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001781.11
LogP ≤ 522.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate with MolForge

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Related Compounds

4-chlorobenzaldehyde;1-chloro-4-[(E)-2-nitroprop-1-enyl]benzene;3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylic acid;[3-(4-chlorophenyl)-4-methyl-1H-pyrrol-2-yl]-morpholin-4-ylmethanone;[3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate
CID 157057614
3-(4-chlorophenyl)-4-methyl-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-(pyrimidin-2-ylmethyl)-5-(trifluoromethyl)pyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CID 158381154
3-[4-(5-chloro-3-pyridinyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;5-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxylic acid;5-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one
CID 158428717
1-benzyl-3-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carboxylic acid;ethyl 1-benzyl-3-(4-chlorophenyl)-5-(trifluoromethyl)pyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-1H-pyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CID 161504531
3-[4-(5-chloro-3-pyridinyl)-2-(2,5-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[2-(1-methoxyethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridine-6-carboxylic acid
CID 161686899
2-[5-(4-chlorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[3-(2,2-dimethylpropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]benzoic acid
CID 167536322
1-chloro-4-(chloromethyl)benzene;7-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 7-bromoimidazo[1,2-a]pyridine-5-carboxylate;methyl 7-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]imidazo[1,2-a]pyridine-5-carboxylate;methyl 7-(1H-imidazol-5-yl)imidazo[1,2-a]pyridine-5-carboxylate;4-methyl-1-tritylimidazole;methyl 7-(1-tritylimidazol-4-yl)imidazo[1,2-a]pyridine-5-carboxylate
CID 157549012
3-(4-chlorophenyl)-4,5-dimethyl-1-(pyrimidin-5-ylmethyl)pyrrole-2-carboxylic acid;[3-(4-chlorophenyl)-4,5-dimethyl-1-(pyrimidin-5-ylmethyl)pyrrol-2-yl]-morpholin-4-ylmethanone;ethyl 3-(4-chlorophenyl)-4,5-dimethyl-1-(pyrimidin-5-ylmethyl)pyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4,5-dimethyl-1H-pyrrole-2-carboxylate
CID 157947095
4-[2-[[(2S)-butan-2-yl]amino]-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide;4-[2-(butan-2-ylamino)-5-methyl-4-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-5-methyl-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(propan-2-ylamino)-4-pyridinyl]-1H-pyrrole-2-carboxamide
CID 158526768
(2-Chloro-2,2-difluoroethyl) 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(3-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;(4-chlorophenyl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;phenyl-(4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;pyridin-2-ylmethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;2,2,2-trichloroethyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 158680712
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-chloropyrimidin-4-yl)-1H-pyrrole-2-carboxamide;bis(4-(6-chloropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide);ethyl 4-(2-chloro-5-cyano-4-pyridinyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 158689983
(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-morpholin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7-methylpyrrolo[2,3-d]pyrimidin-6-one;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;5-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrole-2-carboxylic acid;3-[5-[(Z)-[4-(3-chloro-4-fluoroanilino)-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid;(5Z)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159052835

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate (CID 159723838) is 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(C)c1-c1ccc(Cl)cc1.CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C)cn1-c1cnccn1.Cc1c(-c2ccc(Cl)cc2)c(C(=O)N(C)CC(C)(C)C)n(-c2cnccn2)c1C(F)(F)F.Cc1cn(-c2cnccn2)c(C(=O)N(C)CC(C)(C)C)c1-c1ccc(Cl)cc1.Cc1cn(-c2cnccn2)c(C(=O)O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is NAJNHUVRFBHQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O.C22H25ClN4O.C18H16ClN3O2.C16H12ClN3O2.C14H14ClNO2/c1-14-18(15-6-8-16(24)9-7-15)19(21(32)30(5)13-22(2,3)4)31(20(14)23(25,26)27)17-12-28-10-11-29-17;1-15-13-27(18-12-24-10-11-25-18)20(21(28)26(5)14-22(2,3)4)19(15)16-6-8-17(23)9-7-16;1-3-24-18(23)17-16(13-4-6-14(19)7-5-13)12(2)11-22(17)15-10-20-8-9-21-15;1-10-9-20(13-8-18-6-7-19-13)15(16(21)22)14(10)11-2-4-12(17)5-3-11;1-3-18-14(17)13-12(9(2)8-16-13)10-4-6-11(15)7-5-10/h6-12H,13H2,1-5H3;6-13H,14H2,1-5H3;4-11H,3H2,1-2H3;2-9H,1H3,(H,21,22);4-8,16H,3H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate?
3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 1781.11 g/mol, XLogP of 22.53, 18 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-ylpyrrole-2-carboxamide;3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N,4-dimethyl-1-pyrazin-2-yl-5-(trifluoromethyl)pyrrole-2-carboxamide;3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylic acid;ethyl 3-(4-chlorophenyl)-4-methyl-1-pyrazin-2-ylpyrrole-2-carboxylate;ethyl 3-(4-chlorophenyl)-4-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 159723838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).