5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide

C21H16ClF3N4O2 — CID 118392809

IUPAC5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C21H16ClF3N4O2/c22-16-10-12(21(23,24)25)6-9-15(16)19(30)27-18-11-17(20(31)26-13-7-8-13)28-29(18)14-4-2-1-3-5-14/h1-6,9-11,13H,7-8H2,(H,26,31)(H,27,30)
InChIKeyGYWXNGVYECMHOQ-UHFFFAOYSA-N
MW448.83 g/mol
LogP4.69
Rot. Bonds5

About 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide

5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide (PubChem CID 118392809) has the molecular formula C21H16ClF3N4O2 and a molecular weight of 448.83 g/mol. Its IUPAC name is 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide
PubChem CID118392809
Molecular FormulaC21H16ClF3N4O2
Molecular Weight448.83 g/mol
Exact Mass448.09
IUPAC Name5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C21H16ClF3N4O2/c22-16-10-12(21(23,24)25)6-9-15(16)19(30)27-18-11-17(20(31)26-13-7-8-13)28-29(18)14-4-2-1-3-5-14/h1-6,9-11,13H,7-8H2,(H,26,31)(H,27,30)
InChIKeyGYWXNGVYECMHOQ-UHFFFAOYSA-N
XLogP4.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.83
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US12409171, Name RG-0013047
CID 155424514
N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-3,5-dichloro-N-(2-methylpropyl)benzamide
CID 4552306
4-bromo-5-[(2-chlorobenzoyl)amino]-N-[2-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethyl]-1-phenylpyrazole-3-carboxamide
CID 23631015
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 42732388
N-[2-[[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 45488207
2-chloro-N-(2,5-diphenylpyrazol-3-yl)benzamide
CID 2818849
5-[[2-Chloro-5-[6-(difluoromethyl)pyridin-2-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118505207
2-chloro-N-[4-[[[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317306
2-chloro-N-[4-[[5-methyl-3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 67185290
2-chloro-N-[3-(6-oxo-1,6-dihydropyridazin-3-yl)-1-phenyl-1H-pyrazol-5-yl]-4-(trifluoromethyl)benzamide
CID 145866432
4-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzamide
CID 132274759
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 16026523

Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide (CID 118392809) is 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide is O=C(NC1CC1)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is GYWXNGVYECMHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O2/c22-16-10-12(21(23,24)25)6-9-15(16)19(30)27-18-11-17(20(31)26-13-7-8-13)28-29(18)14-4-2-1-3-5-14/h1-6,9-11,13H,7-8H2,(H,26,31)(H,27,30).
What are the key properties of 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 448.83 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-N-cyclopropyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118392809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).