2-(3-pyrazol-1-ylpropanoylamino)benzoic acid

C13H13N3O3 — CID 28788711

IUPAC2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
SMILESO=C(CCn1cccn1)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H13N3O3/c17-12(6-9-16-8-3-7-14-16)15-11-5-2-1-4-10(11)13(18)19/h1-5,7-8H,6,9H2,(H,15,17)(H,18,19)
InChIKeyBJAYXONDIKUBNQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.61
Rot. Bonds5

About 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid

2-(3-pyrazol-1-ylpropanoylamino)benzoic acid (PubChem CID 28788711) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
PubChem CID28788711
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
SMILESO=C(CCn1cccn1)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H13N3O3/c17-12(6-9-16-8-3-7-14-16)15-11-5-2-1-4-10(11)13(18)19/h1-5,7-8H,6,9H2,(H,15,17)(H,18,19)
InChIKeyBJAYXONDIKUBNQ-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119439339
N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119437899
2-bromo-5-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 115295864
5-(3-pyrazol-1-ylpropanoylamino)thiophene-2-carboxylic acid
CID 43474717
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539
N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 82757585
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
N-(benzenesulfonyl)-3-pyrazol-1-ylpropanamide
CID 47268516
2-[3-(diethylamino)propanoylamino]benzoic acid
CID 559444
N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyrazol-1-ylpropanamide
CID 97089030
N-(2-methoxy-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339335

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid?
The IUPAC name of 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid (CID 28788711) is 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid?
The canonical SMILES for 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid is O=C(CCn1cccn1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid?
The InChIKey is BJAYXONDIKUBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-12(6-9-16-8-3-7-14-16)15-11-5-2-1-4-10(11)13(18)19/h1-5,7-8H,6,9H2,(H,15,17)(H,18,19).
What are the key properties of 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid?
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid has a molecular weight of 259.27 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazol-1-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 28788711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).