2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid

C15H17N3O3 — CID 119223934

IUPAC2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)C(c1ccccc1)n1cccn1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-12(15(20)21)17-14(19)13(18-10-6-9-16-18)11-7-4-3-5-8-11/h3-10,12-13H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyDSTVGMWCXNQCSR-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.45
Rot. Bonds6

About 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid

2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid (PubChem CID 119223934) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid
PubChem CID119223934
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid
SMILESCCC(NC(=O)C(c1ccccc1)n1cccn1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-12(15(20)21)17-14(19)13(18-10-6-9-16-18)11-7-4-3-5-8-11/h3-10,12-13H,2H2,1H3,(H,17,19)(H,20,21)
InChIKeyDSTVGMWCXNQCSR-UHFFFAOYSA-N
XLogP1.45
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid 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

(2R)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 94822827
N-(2-hydroxy-2-phenylethyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 51103317
2-phenyl-N-(1-propylpiperidin-4-yl)-2-pyrazol-1-ylacetamide
CID 51108379
propyl 2-phenyl-2-pyrazol-1-ylacetate
CID 75417530
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 51104109
2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]butanoic acid
CID 4892290
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 51101673
(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 95280062
4-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230000
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
(1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 166275767
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrazol-1-ylpropanamide
CID 103772679

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid?
The IUPAC name of 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid (CID 119223934) is 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid is CCC(NC(=O)C(c1ccccc1)n1cccn1)C(=O)O.
What is the InChIKey of 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid?
The InChIKey is DSTVGMWCXNQCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-12(15(20)21)17-14(19)13(18-10-6-9-16-18)11-7-4-3-5-8-11/h3-10,12-13H,2H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid?
2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 119223934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).