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

C29H26ClFN4O3 — CID 135493296

IUPAC3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1ccccc1Cl
InChIInChI=1S/C29H26ClFN4O3/c30-23-11-5-4-10-21(23)28(37)33-20-13-14-22(27(36)15-20)25-16-26(18-7-1-2-8-18)35(34-25)29(38)32-17-19-9-3-6-12-24(19)31/h3-6,9-16,18,36H,1-2,7-8,17H2,(H,32,38)(H,33,37)
InChIKeyHGRQSGWERKORRL-UHFFFAOYSA-N
MW533.00 g/mol
LogP6.72
Rot. Bonds6

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

3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide (PubChem CID 135493296) has the molecular formula C29H26ClFN4O3 and a molecular weight of 533.00 g/mol. Its IUPAC name is 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
PubChem CID135493296
Molecular FormulaC29H26ClFN4O3
Molecular Weight533.00 g/mol
Exact Mass532.17
IUPAC Name3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1ccccc1Cl
InChIInChI=1S/C29H26ClFN4O3/c30-23-11-5-4-10-21(23)28(37)33-20-13-14-22(27(36)15-20)25-16-26(18-7-1-2-8-18)35(34-25)29(38)32-17-19-9-3-6-12-24(19)31/h3-6,9-16,18,36H,1-2,7-8,17H2,(H,32,38)(H,33,37)
InChIKeyHGRQSGWERKORRL-UHFFFAOYSA-N
XLogP6.72
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.00
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
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
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-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide (CID 135493296) is 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide is O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1ccccc1Cl.
What is the InChIKey of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is HGRQSGWERKORRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClFN4O3/c30-23-11-5-4-10-21(23)28(37)33-20-13-14-22(27(36)15-20)25-16-26(18-7-1-2-8-18)35(34-25)29(38)32-17-19-9-3-6-12-24(19)31/h3-6,9-16,18,36H,1-2,7-8,17H2,(H,32,38)(H,33,37).
What are the key properties of 3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 533.00 g/mol, XLogP of 6.72, 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-cyclopentyl-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 135493296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).