3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide

C28H24ClFN4O3 — CID 135522373

IUPAC3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1ccccc1Cl
InChIInChI=1S/C28H24ClFN4O3/c29-22-10-3-2-9-20(22)27(36)32-19-12-13-21(26(35)14-19)24-15-25(17-7-5-8-17)34(33-24)28(37)31-16-18-6-1-4-11-23(18)30/h1-4,6,9-15,17,35H,5,7-8,16H2,(H,31,37)(H,32,36)
InChIKeyKOZSZLBSGNSCCD-UHFFFAOYSA-N
MW518.98 g/mol
LogP6.33
Rot. Bonds6

About 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide

3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide (PubChem CID 135522373) has the molecular formula C28H24ClFN4O3 and a molecular weight of 518.98 g/mol. Its IUPAC name is 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
PubChem CID135522373
Molecular FormulaC28H24ClFN4O3
Molecular Weight518.98 g/mol
Exact Mass518.15
IUPAC Name3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1ccccc1Cl
InChIInChI=1S/C28H24ClFN4O3/c29-22-10-3-2-9-20(22)27(36)32-19-12-13-21(26(35)14-19)24-15-25(17-7-5-8-17)34(33-24)28(37)31-16-18-6-1-4-11-23(18)30/h1-4,6,9-15,17,35H,5,7-8,16H2,(H,31,37)(H,32,36)
InChIKeyKOZSZLBSGNSCCD-UHFFFAOYSA-N
XLogP6.33
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.98
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]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-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
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135493294
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135493296

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide (CID 135522373) is 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide is O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1ccccc1Cl.
What is the InChIKey of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is KOZSZLBSGNSCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4O3/c29-22-10-3-2-9-20(22)27(36)32-19-12-13-21(26(35)14-19)24-15-25(17-7-5-8-17)34(33-24)28(37)31-16-18-6-1-4-11-23(18)30/h1-4,6,9-15,17,35H,5,7-8,16H2,(H,31,37)(H,32,36).
What are the key properties of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 518.98 g/mol, XLogP of 6.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 135522373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).