2-(1H-pyrazole-5-carbonylamino)benzoic acid

C11H9N3O3 — CID 577040

IUPAC2-(1H-pyrazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccn[nH]1
InChIInChI=1S/C11H9N3O3/c15-10(9-5-6-12-14-9)13-8-4-2-1-3-7(8)11(16)17/h1-6H,(H,12,14)(H,13,15)(H,16,17)
InChIKeyHLSFGRIYROGCTO-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.36
Rot. Bonds3

About 2-(1H-pyrazole-5-carbonylamino)benzoic acid

2-(1H-pyrazole-5-carbonylamino)benzoic acid (PubChem CID 577040) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-(1H-pyrazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(1H-pyrazole-5-carbonylamino)benzoic acid
PubChem CID577040
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-(1H-pyrazole-5-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccn[nH]1
InChIInChI=1S/C11H9N3O3/c15-10(9-5-6-12-14-9)13-8-4-2-1-3-7(8)11(16)17/h1-6H,(H,12,14)(H,13,15)(H,16,17)
InChIKeyHLSFGRIYROGCTO-UHFFFAOYSA-N
XLogP1.36
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazole-5-carbonylamino)benzoic acid?
The IUPAC name of 2-(1H-pyrazole-5-carbonylamino)benzoic acid (CID 577040) is 2-(1H-pyrazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(1H-pyrazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 2-(1H-pyrazole-5-carbonylamino)benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazole-5-carbonylamino)benzoic acid?
The InChIKey is HLSFGRIYROGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10(9-5-6-12-14-9)13-8-4-2-1-3-7(8)11(16)17/h1-6H,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-(1H-pyrazole-5-carbonylamino)benzoic acid?
2-(1H-pyrazole-5-carbonylamino)benzoic acid has a molecular weight of 231.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 577040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).