N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide

C26H30N4O3 — CID 154055808

IUPACN-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide
SMILESCC(C)C(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1
InChIInChI=1S/C26H30N4O3/c1-17(2)25(32)28-20-12-13-21(24(31)14-20)22-15-23(19-10-6-7-11-19)30(29-22)26(33)27-16-18-8-4-3-5-9-18/h3-5,8-9,12-15,17,19,31H,6-7,10-11,16H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyCACXGRVGSFIAGC-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.27
Rot. Bonds6

About N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide

N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide (PubChem CID 154055808) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide
PubChem CID154055808
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide
SMILESCC(C)C(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1
InChIInChI=1S/C26H30N4O3/c1-17(2)25(32)28-20-12-13-21(24(31)14-20)22-15-23(19-10-6-7-11-19)30(29-22)26(33)27-16-18-8-4-3-5-9-18/h3-5,8-9,12-15,17,19,31H,6-7,10-11,16H2,1-2H3,(H,27,33)(H,28,32)
InChIKeyCACXGRVGSFIAGC-UHFFFAOYSA-N
XLogP5.27
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 ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]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

5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154055801
5-cyclobutyl-3-[2-hydroxy-5-(2-methylpropanoylamino)phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054824
N-benzyl-5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055651
N-[4-[1-(benzylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055504
N-benzyl-5-cyclobutyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154055598
5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055417
5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056086
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154056050
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
5-cyclopentyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154054399
5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154056129
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide?
The IUPAC name of N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide (CID 154055808) is N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide is CC(C)C(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3)n2)c(O)c1.
What is the InChIKey of N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide?
The InChIKey is CACXGRVGSFIAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-17(2)25(32)28-20-12-13-21(24(31)14-20)22-15-23(19-10-6-7-11-19)30(29-22)26(33)27-16-18-8-4-3-5-9-18/h3-5,8-9,12-15,17,19,31H,6-7,10-11,16H2,1-2H3,(H,27,33)(H,28,32).
What are the key properties of N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide?
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).