4-pyrazol-1-ylbenzoyl chloride

C10H7ClN2O — CID 2776474

IUPAC4-pyrazol-1-ylbenzoyl chloride
SMILESO=C(Cl)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H7ClN2O/c11-10(14)8-2-4-9(5-3-8)13-7-1-6-12-13/h1-7H
InChIKeyUHDHZXQMHIQHSO-UHFFFAOYSA-N
MW206.63 g/mol
LogP2.25
Rot. Bonds2

About 4-pyrazol-1-ylbenzoyl chloride

4-pyrazol-1-ylbenzoyl chloride (PubChem CID 2776474) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 4-pyrazol-1-ylbenzoyl chloride.

Molecular Properties

Compound Name4-pyrazol-1-ylbenzoyl chloride
PubChem CID2776474
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name4-pyrazol-1-ylbenzoyl chloride
SMILESO=C(Cl)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C10H7ClN2O/c11-10(14)8-2-4-9(5-3-8)13-7-1-6-12-13/h1-7H
InChIKeyUHDHZXQMHIQHSO-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-ylbenzoyl chloride?
The IUPAC name of 4-pyrazol-1-ylbenzoyl chloride (CID 2776474) is 4-pyrazol-1-ylbenzoyl chloride.
What is the SMILES notation for 4-pyrazol-1-ylbenzoyl chloride?
The canonical SMILES for 4-pyrazol-1-ylbenzoyl chloride is O=C(Cl)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-pyrazol-1-ylbenzoyl chloride?
The InChIKey is UHDHZXQMHIQHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-10(14)8-2-4-9(5-3-8)13-7-1-6-12-13/h1-7H.
What are the key properties of 4-pyrazol-1-ylbenzoyl chloride?
4-pyrazol-1-ylbenzoyl chloride has a molecular weight of 206.63 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-ylbenzoyl chloride is sourced from PubChem (CID 2776474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).