3-(2-pyrazol-1-ylethylamino)butanamide

C9H16N4O — CID 115676497

IUPAC3-(2-pyrazol-1-ylethylamino)butanamide
SMILESCC(CC(N)=O)NCCn1cccn1
InChIInChI=1S/C9H16N4O/c1-8(7-9(10)14)11-4-6-13-5-2-3-12-13/h2-3,5,8,11H,4,6-7H2,1H3,(H2,10,14)
InChIKeyGPEVEFPXBHSJGL-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds6

About 3-(2-pyrazol-1-ylethylamino)butanamide

3-(2-pyrazol-1-ylethylamino)butanamide (PubChem CID 115676497) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(2-pyrazol-1-ylethylamino)butanamide.

Molecular Properties

Compound Name3-(2-pyrazol-1-ylethylamino)butanamide
PubChem CID115676497
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-(2-pyrazol-1-ylethylamino)butanamide
SMILESCC(CC(N)=O)NCCn1cccn1
InChIInChI=1S/C9H16N4O/c1-8(7-9(10)14)11-4-6-13-5-2-3-12-13/h2-3,5,8,11H,4,6-7H2,1H3,(H2,10,14)
InChIKeyGPEVEFPXBHSJGL-UHFFFAOYSA-N
XLogP-0.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-pyrazol-1-ylethylamino)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

1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
CID 77031329
3-(2-pyrazol-1-ylethylamino)propanamide
CID 61463114
3-(propylamino)butanamide
CID 54855476
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
3-methyl-3-(2-pyrazol-1-ylethylamino)butanamide
CID 104580184
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
2-(propylamino)-4-pyrazol-1-ylbutanamide
CID 63039561

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrazol-1-ylethylamino)butanamide?
The IUPAC name of 3-(2-pyrazol-1-ylethylamino)butanamide (CID 115676497) is 3-(2-pyrazol-1-ylethylamino)butanamide.
What is the SMILES notation for 3-(2-pyrazol-1-ylethylamino)butanamide?
The canonical SMILES for 3-(2-pyrazol-1-ylethylamino)butanamide is CC(CC(N)=O)NCCn1cccn1.
What is the InChIKey of 3-(2-pyrazol-1-ylethylamino)butanamide?
The InChIKey is GPEVEFPXBHSJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8(7-9(10)14)11-4-6-13-5-2-3-12-13/h2-3,5,8,11H,4,6-7H2,1H3,(H2,10,14).
What are the key properties of 3-(2-pyrazol-1-ylethylamino)butanamide?
3-(2-pyrazol-1-ylethylamino)butanamide has a molecular weight of 196.25 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrazol-1-ylethylamino)butanamide is sourced from PubChem (CID 115676497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).