1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide

C20H26N4O2 — CID 56506902

IUPAC1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NC(=O)CCCC3CCCCC3)cc2)n1
InChIInChI=1S/C20H26N4O2/c21-20(26)18-13-14-24(23-18)17-11-9-16(10-12-17)22-19(25)8-4-7-15-5-2-1-3-6-15/h9-15H,1-8H2,(H2,21,26)(H,22,25)
InChIKeyPFOBSENHZOHAMR-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.66
Rot. Bonds7

About 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide

1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 56506902) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide
PubChem CID56506902
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2ccc(NC(=O)CCCC3CCCCC3)cc2)n1
InChIInChI=1S/C20H26N4O2/c21-20(26)18-13-14-24(23-18)17-11-9-16(10-12-17)22-19(25)8-4-7-15-5-2-1-3-6-15/h9-15H,1-8H2,(H2,21,26)(H,22,25)
InChIKeyPFOBSENHZOHAMR-UHFFFAOYSA-N
XLogP3.66
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-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

4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
N-(6-amino-3-pyridinyl)-4-cyclopentylbutanamide;hydrochloride
CID 119516594
1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56585894
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide
CID 56506640
[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554876
1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56507403
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
6-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 136527343
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510
4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide
CID 71994664

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide (CID 56506902) is 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide is NC(=O)c1ccn(-c2ccc(NC(=O)CCCC3CCCCC3)cc2)n1.
What is the InChIKey of 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is PFOBSENHZOHAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-20(26)18-13-14-24(23-18)17-11-9-16(10-12-17)22-19(25)8-4-7-15-5-2-1-3-6-15/h9-15H,1-8H2,(H2,21,26)(H,22,25).
What are the key properties of 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide?
1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56506902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).