2-(4H-pyrazole-3-carbonylamino)benzoic acid

C11H9N3O3 — CID 709047

IUPAC2-(4H-pyrazole-3-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)C1=NN=CC1
InChIInChI=1S/C11H9N3O3/c15-10(9-5-6-12-14-9)13-8-4-2-1-3-7(8)11(16)17/h1-4,6H,5H2,(H,13,15)(H,16,17)
InChIKeyZMOZLLODXPTQNF-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.15
Rot. Bonds3

About 2-(4H-pyrazole-3-carbonylamino)benzoic acid

2-(4H-pyrazole-3-carbonylamino)benzoic acid (PubChem CID 709047) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 2-(4H-pyrazole-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(4H-pyrazole-3-carbonylamino)benzoic acid
PubChem CID709047
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name2-(4H-pyrazole-3-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)C1=NN=CC1
InChIInChI=1S/C11H9N3O3/c15-10(9-5-6-12-14-9)13-8-4-2-1-3-7(8)11(16)17/h1-4,6H,5H2,(H,13,15)(H,16,17)
InChIKeyZMOZLLODXPTQNF-UHFFFAOYSA-N
XLogP1.15
TPSA91.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-pyrazole-3-carbonylamino)benzoic acid?
The IUPAC name of 2-(4H-pyrazole-3-carbonylamino)benzoic acid (CID 709047) is 2-(4H-pyrazole-3-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(4H-pyrazole-3-carbonylamino)benzoic acid?
The canonical SMILES for 2-(4H-pyrazole-3-carbonylamino)benzoic acid is O=C(Nc1ccccc1C(=O)O)C1=NN=CC1.
What is the InChIKey of 2-(4H-pyrazole-3-carbonylamino)benzoic acid?
The InChIKey is ZMOZLLODXPTQNF-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/h1-4,6H,5H2,(H,13,15)(H,16,17).
What are the key properties of 2-(4H-pyrazole-3-carbonylamino)benzoic acid?
2-(4H-pyrazole-3-carbonylamino)benzoic acid has a molecular weight of 231.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-pyrazole-3-carbonylamino)benzoic acid is sourced from PubChem (CID 709047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).