2-pyrazol-1-ylbenzoic acid

C10H8N2O2 — CID 4738383

IUPAC2-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1ccccc1-n1cccn1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14)
InChIKeyMHACZVWKWUMHRR-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.57
Rot. Bonds2

About 2-pyrazol-1-ylbenzoic acid

2-pyrazol-1-ylbenzoic acid (PubChem CID 4738383) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-pyrazol-1-ylbenzoic acid.

Molecular Properties

Compound Name2-pyrazol-1-ylbenzoic acid
PubChem CID4738383
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1ccccc1-n1cccn1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14)
InChIKeyMHACZVWKWUMHRR-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylbenzoic acid?
The IUPAC name of 2-pyrazol-1-ylbenzoic acid (CID 4738383) is 2-pyrazol-1-ylbenzoic acid.
What is the SMILES notation for 2-pyrazol-1-ylbenzoic acid?
The canonical SMILES for 2-pyrazol-1-ylbenzoic acid is O=C(O)c1ccccc1-n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylbenzoic acid?
The InChIKey is MHACZVWKWUMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,(H,13,14).
What are the key properties of 2-pyrazol-1-ylbenzoic acid?
2-pyrazol-1-ylbenzoic acid has a molecular weight of 188.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylbenzoic acid is sourced from PubChem (CID 4738383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).