3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide

C13H22N4O — CID 113349012

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
SMILESCC(CC(N)=O)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H22N4O/c1-10(8-13(14)18)15-9-11-6-7-17(16-11)12-4-2-3-5-12/h6-7,10,12,15H,2-5,8-9H2,1H3,(H2,14,18)
InChIKeyCNAHNFLIWORKSW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.35
Rot. Bonds6

About 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide

3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide (PubChem CID 113349012) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
PubChem CID113349012
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
SMILESCC(CC(N)=O)NCc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H22N4O/c1-10(8-13(14)18)15-9-11-6-7-17(16-11)12-4-2-3-5-12/h6-7,10,12,15H,2-5,8-9H2,1H3,(H2,14,18)
InChIKeyCNAHNFLIWORKSW-UHFFFAOYSA-N
XLogP1.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide 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

methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 64801249
N-[(1-cyclopentylpyrazol-3-yl)methyl]heptan-2-amine
CID 64801633
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
CID 114154013
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 103491885
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide (CID 113349012) is 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide is CC(CC(N)=O)NCc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide?
The InChIKey is CNAHNFLIWORKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(8-13(14)18)15-9-11-6-7-17(16-11)12-4-2-3-5-12/h6-7,10,12,15H,2-5,8-9H2,1H3,(H2,14,18).
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide?
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide is sourced from PubChem (CID 113349012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).