2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid

C13H13N3O3 — CID 55128680

IUPAC2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C13H13N3O3/c17-12(11-6-7-15-16-11)14-8-10(13(18)19)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyFOZATKKBEAAWCG-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.01
Rot. Bonds5

About 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid

2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid (PubChem CID 55128680) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
PubChem CID55128680
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C13H13N3O3/c17-12(11-6-7-15-16-11)14-8-10(13(18)19)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyFOZATKKBEAAWCG-UHFFFAOYSA-N
XLogP1.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-1H-pyrazole-5-carboxamide
CID 63120557
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CID 65220054
3-[(3-bromopyridine-2-carbonyl)amino]-2-phenylpropanoic acid
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5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-5-carboxamide
CID 97227601
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 90895766
N-(2-amino-4-methylpentyl)-1H-pyrazole-5-carboxamide
CID 107158805
3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 138041211
2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921485
N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 60615566
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
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CID 62882788

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid (CID 55128680) is 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid is O=C(NCC(C(=O)O)c1ccccc1)c1ccn[nH]1.
What is the InChIKey of 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid?
The InChIKey is FOZATKKBEAAWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-12(11-6-7-15-16-11)14-8-10(13(18)19)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid?
2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid has a molecular weight of 259.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1H-pyrazole-5-carbonylamino)propanoic acid is sourced from PubChem (CID 55128680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).