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

C28H24ClFN4O3 — CID 135443361

IUPAC3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1ccccc1Cl
InChIInChI=1S/C28H24ClFN4O3/c29-23-7-2-1-6-21(23)27(36)32-20-12-13-22(26(35)14-20)24-15-25(18-4-3-5-18)34(33-24)28(37)31-16-17-8-10-19(30)11-9-17/h1-2,6-15,18,35H,3-5,16H2,(H,31,37)(H,32,36)
InChIKeyLTKVVJSCTFXWJR-UHFFFAOYSA-N
MW518.98 g/mol
LogP6.33
Rot. Bonds6

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

3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide (PubChem CID 135443361) 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-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
PubChem CID135443361
Molecular FormulaC28H24ClFN4O3
Molecular Weight518.98 g/mol
Exact Mass518.15
IUPAC Name3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1ccccc1Cl
InChIInChI=1S/C28H24ClFN4O3/c29-23-7-2-1-6-21(23)27(36)32-20-12-13-22(26(35)14-20)24-15-25(18-4-3-5-18)34(33-24)28(37)31-16-17-8-10-19(30)11-9-17/h1-2,6-15,18,35H,3-5,16H2,(H,31,37)(H,32,36)
InChIKeyLTKVVJSCTFXWJR-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-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide with MolForge

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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
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
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135493303

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide (CID 135443361) is 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide is O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1)c1ccccc1Cl.
What is the InChIKey of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is LTKVVJSCTFXWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4O3/c29-23-7-2-1-6-21(23)27(36)32-20-12-13-22(26(35)14-20)24-15-25(18-4-3-5-18)34(33-24)28(37)31-16-17-8-10-19(30)11-9-17/h1-2,6-15,18,35H,3-5,16H2,(H,31,37)(H,32,36).
What are the key properties of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide?
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-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-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 135443361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).