5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide

C26H30N4O3 — CID 154055874

IUPAC5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2O)cc1C1CCCC1
InChIInChI=1S/C26H30N4O3/c1-3-14-27-26(33)30-23(18-6-4-5-7-18)16-22(29-30)21-13-12-20(15-24(21)31)28-25(32)19-10-8-17(2)9-11-19/h8-13,15-16,18,31H,3-7,14H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyXAMXEFOYVCAFSM-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.44
Rot. Bonds6

About 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide

5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide (PubChem CID 154055874) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
PubChem CID154055874
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
SMILESCCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2O)cc1C1CCCC1
InChIInChI=1S/C26H30N4O3/c1-3-14-27-26(33)30-23(18-6-4-5-7-18)16-22(29-30)21-13-12-20(15-24(21)31)28-25(32)19-10-8-17(2)9-11-19/h8-13,15-16,18,31H,3-7,14H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyXAMXEFOYVCAFSM-UHFFFAOYSA-N
XLogP5.44
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055473
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056019
5-cyclopentyl-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055240
5-cyclopropyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-propylpyrazole-1-carboxamide
CID 154054872
5-cyclobutyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154054230
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
2-chloro-N-[4-[5-cyclopentyl-1-(propylcarbamoyl)pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055345
N-[4-[5-cyclopropyl-1-[(4-methylphenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-4-carboxamide
CID 154055483
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055940
5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056086
5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055973

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide?
The IUPAC name of 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide (CID 154055874) is 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide?
The canonical SMILES for 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide is CCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2O)cc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide?
The InChIKey is XAMXEFOYVCAFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-3-14-27-26(33)30-23(18-6-4-5-7-18)16-22(29-30)21-13-12-20(15-24(21)31)28-25(32)19-10-8-17(2)9-11-19/h8-13,15-16,18,31H,3-7,14H2,1-2H3,(H,27,33)(H,28,32).
What are the key properties of 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide?
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide is sourced from PubChem (CID 154055874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).