3-amino-N-(2-pyrazol-1-ylphenyl)butanamide

C13H16N4O — CID 60837811

IUPAC3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C13H16N4O/c1-10(14)9-13(18)16-11-5-2-3-6-12(11)17-8-4-7-15-17/h2-8,10H,9,14H2,1H3,(H,16,18)
InChIKeyFVRXQBSOWSNCGN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide

3-amino-N-(2-pyrazol-1-ylphenyl)butanamide (PubChem CID 60837811) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
PubChem CID60837811
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
SMILESCC(N)CC(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C13H16N4O/c1-10(14)9-13(18)16-11-5-2-3-6-12(11)17-8-4-7-15-17/h2-8,10H,9,14H2,1H3,(H,16,18)
InChIKeyFVRXQBSOWSNCGN-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-pyrazol-1-ylphenyl)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

4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
4-amino-3-methoxy-N-(2-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120586313
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
4-hydroxy-N-(2-pyrazol-1-ylphenyl)butanamide
CID 79200496
3-(ethylamino)-N-(2-pyrazol-1-ylphenyl)propanamide
CID 62833081
1-pentan-2-yl-3-(2-pyrazol-1-ylphenyl)urea
CID 47040904
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
4-amino-N-[2-(3-methylpyrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120563814
2-(2-methoxyethylamino)-N-(2-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119400016
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide (CID 60837811) is 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide is CC(N)CC(=O)Nc1ccccc1-n1cccn1.
What is the InChIKey of 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide?
The InChIKey is FVRXQBSOWSNCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(14)9-13(18)16-11-5-2-3-6-12(11)17-8-4-7-15-17/h2-8,10H,9,14H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide?
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide has a molecular weight of 244.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 60837811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).