N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide

C18H22N4O2 — CID 131950327

IUPACN-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H22N4O2/c23-17(20-14-5-1-2-6-14)9-10-18(24)21-15-7-3-8-16(13-15)22-12-4-11-19-22/h3-4,7-8,11-14H,1-2,5-6,9-10H2,(H,20,23)(H,21,24)
InChIKeyPFLFSNKYPYIXRU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.65
Rot. Bonds6

About N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide

N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide (PubChem CID 131950327) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
PubChem CID131950327
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
SMILESO=C(CCC(=O)NC1CCCC1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H22N4O2/c23-17(20-14-5-1-2-6-14)9-10-18(24)21-15-7-3-8-16(13-15)22-12-4-11-19-22/h3-4,7-8,11-14H,1-2,5-6,9-10H2,(H,20,23)(H,21,24)
InChIKeyPFLFSNKYPYIXRU-UHFFFAOYSA-N
XLogP2.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide 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

1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 92635651
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 51600172
3-[(2R)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 51600173
2-(1-cyclohexylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 92633708
(2S)-2-amino-2-cyclohexyl-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 154915070
1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525270
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525273
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 119708754

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide?
The IUPAC name of N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide (CID 131950327) is N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide?
The canonical SMILES for N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide is O=C(CCC(=O)NC1CCCC1)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide?
The InChIKey is PFLFSNKYPYIXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(20-14-5-1-2-6-14)9-10-18(24)21-15-7-3-8-16(13-15)22-12-4-11-19-22/h3-4,7-8,11-14H,1-2,5-6,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide?
N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide has a molecular weight of 326.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide is sourced from PubChem (CID 131950327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).