2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid

C48H42Cl4F6N14O5 — CID 158120445

IUPAC2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid
SMILESCNC(=O)c1cc(Cl)cc(C)c1N.CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Cn2nc(C(F)(F)F)cc2C)nn1-c1ncccc1Cl.Cc1cc(C(F)(F)F)nn1Cc1cc(C(=O)O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C24H20Cl2F3N7O2.C15H11ClF3N5O2.C9H11ClN2O/c1-12-7-14(25)9-16(22(37)30-3)20(12)32-23(38)18-10-15(33-36(18)21-17(26)5-4-6-31-21)11-35-13(2)8-19(34-35)24(27,28)29;1-8-5-12(15(17,18)19)22-23(8)7-9-6-11(14(25)26)24(21-9)13-10(16)3-2-4-20-13;1-5-3-6(10)4-7(8(5)11)9(13)12-2/h4-10H,11H2,1-3H3,(H,30,37)(H,32,38);2-6H,7H2,1H3,(H,25,26);3-4H,11H2,1-2H3,(H,12,13)
InChIKeyFRNSCWKIISACHX-UHFFFAOYSA-N
MW1150.76 g/mol
LogP9.85
Rot. Bonds11

About 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid

2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid (PubChem CID 158120445) has the molecular formula C48H42Cl4F6N14O5 and a molecular weight of 1150.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid
PubChem CID158120445
Molecular FormulaC48H42Cl4F6N14O5
Molecular Weight1150.76 g/mol
Exact Mass1148.21
IUPAC Name2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid
SMILESCNC(=O)c1cc(Cl)cc(C)c1N.CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Cn2nc(C(F)(F)F)cc2C)nn1-c1ncccc1Cl.Cc1cc(C(F)(F)F)nn1Cc1cc(C(=O)O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C24H20Cl2F3N7O2.C15H11ClF3N5O2.C9H11ClN2O/c1-12-7-14(25)9-16(22(37)30-3)20(12)32-23(38)18-10-15(33-36(18)21-17(26)5-4-6-31-21)11-35-13(2)8-19(34-35)24(27,28)29;1-8-5-12(15(17,18)19)22-23(8)7-9-6-11(14(25)26)24(21-9)13-10(16)3-2-4-20-13;1-5-3-6(10)4-7(8(5)11)9(13)12-2/h4-10H,11H2,1-3H3,(H,30,37)(H,32,38);2-6H,7H2,1H3,(H,25,26);3-4H,11H2,1-2H3,(H,12,13)
InChIKeyFRNSCWKIISACHX-UHFFFAOYSA-N
XLogP9.85
TPSA247.68 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001150.76
LogP ≤ 59.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid with MolForge

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Related Compounds

[5-[[4-Chloro-2-methyl-6-(methylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazol-3-yl]methyl 2,2,2-trifluoroacetate
CID 50905432
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide
CID 50907125
Ethyl 5-[[2-(benzylcarbamoyl)-4-chloro-6-methylphenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-3-carboxylate
CID 50907337
N-[2-[(1-benzylpyrrolidin-3-yl)carbamoyl]-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58047751
3-(Tert-butylcarbamoyl)-4-[[2-(3-chloropyridin-2-yl)-5-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-3-carbonyl]amino]-5-methylbenzoic acid
CID 58047926
Methyl 2-[[5-chloro-2-[[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carbonyl]amino]-3-methylbenzoyl]amino]acetate
CID 58477734
6-[[(2S)-2-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-(1-ethylpyrazol-3-yl)propanoyl]amino]pyridine-3-carboxylic acid
CID 59402003
6-[[(2S)-2-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-(1,5-dimethylpyrazol-3-yl)propanoyl]amino]pyridine-3-carboxylic acid
CID 59402243
N-[4-chloro-2-methyl-6-[(6-methylpyridin-2-yl)methylcarbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032388
Methyl 4-[[[5-chloro-2-[[2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carbonyl]amino]-3-methylbenzoyl]amino]methyl]benzoate
CID 68032391
N-[4-chloro-2-methyl-6-[(6-propylpyridin-2-yl)methylcarbamoyl]phenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032410
N-[4-chloro-2-[(5,6-dimethylpyridin-2-yl)methylcarbamoyl]-6-methylphenyl]-2-(3-chloropyridin-2-yl)-5-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-3-carboxamide
CID 68032421

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid (CID 158120445) is 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid is CNC(=O)c1cc(Cl)cc(C)c1N.CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(Cn2nc(C(F)(F)F)cc2C)nn1-c1ncccc1Cl.Cc1cc(C(F)(F)F)nn1Cc1cc(C(=O)O)n(-c2ncccc2Cl)n1.
What is the InChIKey of 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid?
The InChIKey is FRNSCWKIISACHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F3N7O2.C15H11ClF3N5O2.C9H11ClN2O/c1-12-7-14(25)9-16(22(37)30-3)20(12)32-23(38)18-10-15(33-36(18)21-17(26)5-4-6-31-21)11-35-13(2)8-19(34-35)24(27,28)29;1-8-5-12(15(17,18)19)22-23(8)7-9-6-11(14(25)26)24(21-9)13-10(16)3-2-4-20-13;1-5-3-6(10)4-7(8(5)11)9(13)12-2/h4-10H,11H2,1-3H3,(H,30,37)(H,32,38);2-6H,7H2,1H3,(H,25,26);3-4H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid?
2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid has a molecular weight of 1150.76 g/mol, XLogP of 9.85, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N,3-dimethylbenzamide;N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxamide;1-(3-chloro-2-pyridinyl)-3-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 158120445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).