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

C28H25ClN4O3 — CID 154055045

IUPAC3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
SMILESCc1cccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccc(Cl)cc4)ccc3O)cc2C2CC2)c1
InChIInChI=1S/C28H25ClN4O3/c1-17-3-2-4-18(13-17)16-30-28(36)33-25(19-5-6-19)15-24(32-33)23-14-22(11-12-26(23)34)31-27(35)20-7-9-21(29)10-8-20/h2-4,7-15,19,34H,5-6,16H2,1H3,(H,30,36)(H,31,35)
InChIKeyOSWNKSSKXZGUKW-UHFFFAOYSA-N
MW500.99 g/mol
LogP6.11
Rot. Bonds6

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

3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154055045) has the molecular formula C28H25ClN4O3 and a molecular weight of 500.99 g/mol. Its IUPAC name is 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
PubChem CID154055045
Molecular FormulaC28H25ClN4O3
Molecular Weight500.99 g/mol
Exact Mass500.16
IUPAC Name3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
SMILESCc1cccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccc(Cl)cc4)ccc3O)cc2C2CC2)c1
InChIInChI=1S/C28H25ClN4O3/c1-17-3-2-4-18(13-17)16-30-28(36)33-25(19-5-6-19)15-24(32-33)23-14-22(11-12-26(23)34)31-27(35)20-7-9-21(29)10-8-20/h2-4,7-15,19,34H,5-6,16H2,1H3,(H,30,36)(H,31,35)
InChIKeyOSWNKSSKXZGUKW-UHFFFAOYSA-N
XLogP6.11
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.99
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopentyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055018
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056033
5-cyclopropyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055048
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056031
5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055837
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055940
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056019
5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055131
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
3-[5-[(4-tert-butylbenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]pyrazole-1-carboxamide
CID 154054937
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055074

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide (CID 154055045) is 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide is Cc1cccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccc(Cl)cc4)ccc3O)cc2C2CC2)c1.
What is the InChIKey of 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is OSWNKSSKXZGUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O3/c1-17-3-2-4-18(13-17)16-30-28(36)33-25(19-5-6-19)15-24(32-33)23-14-22(11-12-26(23)34)31-27(35)20-7-9-21(29)10-8-20/h2-4,7-15,19,34H,5-6,16H2,1H3,(H,30,36)(H,31,35).
What are the key properties of 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide?
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 500.99 g/mol, XLogP of 6.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).