4-chloro-2-pyrazol-1-ylbenzoic acid

C10H7ClN2O2 — CID 63082515

IUPAC4-chloro-2-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-n1cccn1
InChIInChI=1S/C10H7ClN2O2/c11-7-2-3-8(10(14)15)9(6-7)13-5-1-4-12-13/h1-6H,(H,14,15)
InChIKeyXKAQDOYAKCELQI-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.22
Rot. Bonds2

About 4-chloro-2-pyrazol-1-ylbenzoic acid

4-chloro-2-pyrazol-1-ylbenzoic acid (PubChem CID 63082515) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 4-chloro-2-pyrazol-1-ylbenzoic acid.

Molecular Properties

Compound Name4-chloro-2-pyrazol-1-ylbenzoic acid
PubChem CID63082515
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name4-chloro-2-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1-n1cccn1
InChIInChI=1S/C10H7ClN2O2/c11-7-2-3-8(10(14)15)9(6-7)13-5-1-4-12-13/h1-6H,(H,14,15)
InChIKeyXKAQDOYAKCELQI-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyrazol-1-ylbenzoic acid?
The IUPAC name of 4-chloro-2-pyrazol-1-ylbenzoic acid (CID 63082515) is 4-chloro-2-pyrazol-1-ylbenzoic acid.
What is the SMILES notation for 4-chloro-2-pyrazol-1-ylbenzoic acid?
The canonical SMILES for 4-chloro-2-pyrazol-1-ylbenzoic acid is O=C(O)c1ccc(Cl)cc1-n1cccn1.
What is the InChIKey of 4-chloro-2-pyrazol-1-ylbenzoic acid?
The InChIKey is XKAQDOYAKCELQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-2-3-8(10(14)15)9(6-7)13-5-1-4-12-13/h1-6H,(H,14,15).
What are the key properties of 4-chloro-2-pyrazol-1-ylbenzoic acid?
4-chloro-2-pyrazol-1-ylbenzoic acid has a molecular weight of 222.63 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyrazol-1-ylbenzoic acid is sourced from PubChem (CID 63082515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).