3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole

C23H19ClN2O — CID 174958210

IUPAC3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole
SMILESCOc1ccc(-c2ccccc2-n2nc(CCl)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H19ClN2O/c1-27-20-13-11-17(12-14-20)21-9-5-6-10-22(21)26-23(15-19(16-24)25-26)18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyORAVQZRRNUMXRE-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.95
Rot. Bonds5

About 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole

3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole (PubChem CID 174958210) has the molecular formula C23H19ClN2O and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole.

Molecular Properties

Compound Name3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole
PubChem CID174958210
Molecular FormulaC23H19ClN2O
Molecular Weight374.87 g/mol
Exact Mass374.12
IUPAC Name3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole
SMILESCOc1ccc(-c2ccccc2-n2nc(CCl)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H19ClN2O/c1-27-20-13-11-17(12-14-20)21-9-5-6-10-22(21)26-23(15-19(16-24)25-26)18-7-3-2-4-8-18/h2-15H,16H2,1H3
InChIKeyORAVQZRRNUMXRE-UHFFFAOYSA-N
XLogP5.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole?
The IUPAC name of 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole (CID 174958210) is 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole.
What is the SMILES notation for 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole?
The canonical SMILES for 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole is COc1ccc(-c2ccccc2-n2nc(CCl)cc2-c2ccccc2)cc1.
What is the InChIKey of 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole?
The InChIKey is ORAVQZRRNUMXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O/c1-27-20-13-11-17(12-14-20)21-9-5-6-10-22(21)26-23(15-19(16-24)25-26)18-7-3-2-4-8-18/h2-15H,16H2,1H3.
What are the key properties of 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole?
3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole has a molecular weight of 374.87 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[2-(4-methoxyphenyl)phenyl]-5-phenylpyrazole is sourced from PubChem (CID 174958210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).