2-chloro-5-pyrazol-1-ylbenzoic acid

C10H7ClN2O2 — CID 5311912

IUPAC2-chloro-5-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C10H7ClN2O2/c11-9-3-2-7(6-8(9)10(14)15)13-5-1-4-12-13/h1-6H,(H,14,15)
InChIKeyIJWPYVIFFDSOQM-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.22
Rot. Bonds2

About 2-chloro-5-pyrazol-1-ylbenzoic acid

2-chloro-5-pyrazol-1-ylbenzoic acid (PubChem CID 5311912) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-chloro-5-pyrazol-1-ylbenzoic acid.

Molecular Properties

Compound Name2-chloro-5-pyrazol-1-ylbenzoic acid
PubChem CID5311912
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-chloro-5-pyrazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(-n2cccn2)ccc1Cl
InChIInChI=1S/C10H7ClN2O2/c11-9-3-2-7(6-8(9)10(14)15)13-5-1-4-12-13/h1-6H,(H,14,15)
InChIKeyIJWPYVIFFDSOQM-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 2-chloro-5-pyrazol-1-ylbenzoic acid?
The IUPAC name of 2-chloro-5-pyrazol-1-ylbenzoic acid (CID 5311912) is 2-chloro-5-pyrazol-1-ylbenzoic acid.
What is the SMILES notation for 2-chloro-5-pyrazol-1-ylbenzoic acid?
The canonical SMILES for 2-chloro-5-pyrazol-1-ylbenzoic acid is O=C(O)c1cc(-n2cccn2)ccc1Cl.
What is the InChIKey of 2-chloro-5-pyrazol-1-ylbenzoic acid?
The InChIKey is IJWPYVIFFDSOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-9-3-2-7(6-8(9)10(14)15)13-5-1-4-12-13/h1-6H,(H,14,15).
What are the key properties of 2-chloro-5-pyrazol-1-ylbenzoic acid?
2-chloro-5-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 2-chloro-5-pyrazol-1-ylbenzoic acid is sourced from PubChem (CID 5311912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).