N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide

C28H22ClF3N4O3 — CID 154056069

IUPACN-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H22ClF3N4O3/c29-22-7-2-1-4-18(22)15-33-27(39)36-24(16-8-9-16)14-23(35-36)21-11-10-20(13-25(21)37)34-26(38)17-5-3-6-19(12-17)28(30,31)32/h1-7,10-14,16,37H,8-9,15H2,(H,33,39)(H,34,38)
InChIKeyDVGQINWVNOUTSI-UHFFFAOYSA-N
MW554.96 g/mol
LogP6.82
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide

N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide (PubChem CID 154056069) has the molecular formula C28H22ClF3N4O3 and a molecular weight of 554.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
PubChem CID154056069
Molecular FormulaC28H22ClF3N4O3
Molecular Weight554.96 g/mol
Exact Mass554.13
IUPAC NameN-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H22ClF3N4O3/c29-22-7-2-1-4-18(22)15-33-27(39)36-24(16-8-9-16)14-23(35-36)21-11-10-20(13-25(21)37)34-26(38)17-5-3-6-19(12-17)28(30,31)32/h1-7,10-14,16,37H,8-9,15H2,(H,33,39)(H,34,38)
InChIKeyDVGQINWVNOUTSI-UHFFFAOYSA-N
XLogP6.82
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.96
LogP ≤ 56.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-2-methylphenyl)benzamide
CID 59631888
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-[(4-hydroxy-3-methylphenyl)methyl]benzamide
CID 59632553
4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-N-(3-hydroxy-4-methylphenyl)benzamide
CID 68656041
5-Cyclopropyl-3-[[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-fluoro-phenylmethyl]pyrazole-1-carboxamide
CID 69866351
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135416052
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135443361
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135443370
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135443371
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135465788
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135486124
5-cyclopropyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135486127
5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135486131

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide (CID 154056069) is N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide is O=C(Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3ccccc3Cl)n2)c(O)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
The InChIKey is DVGQINWVNOUTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF3N4O3/c29-22-7-2-1-4-18(22)15-33-27(39)36-24(16-8-9-16)14-23(35-36)21-11-10-20(13-25(21)37)34-26(38)17-5-3-6-19(12-17)28(30,31)32/h1-7,10-14,16,37H,8-9,15H2,(H,33,39)(H,34,38).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide?
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide has a molecular weight of 554.96 g/mol, XLogP of 6.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154056069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).