1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole

C17H14ClFN2O — CID 67848090

IUPAC1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1cc(-c2ccccc2F)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H14ClFN2O/c1-22-11-12-10-17(13-6-2-4-8-15(13)19)21(20-12)16-9-5-3-7-14(16)18/h2-10H,11H2,1H3
InChIKeyCHRFRLWRNWKVTG-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.48
Rot. Bonds4

About 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole

1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole (PubChem CID 67848090) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole
PubChem CID67848090
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole
SMILESCOCc1cc(-c2ccccc2F)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H14ClFN2O/c1-22-11-12-10-17(13-6-2-4-8-15(13)19)21(20-12)16-9-5-3-7-14(16)18/h2-10H,11H2,1H3
InChIKeyCHRFRLWRNWKVTG-UHFFFAOYSA-N
XLogP4.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole 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 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole (CID 67848090) is 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole is COCc1cc(-c2ccccc2F)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole?
The InChIKey is CHRFRLWRNWKVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-22-11-12-10-17(13-6-2-4-8-15(13)19)21(20-12)16-9-5-3-7-14(16)18/h2-10H,11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole?
1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole has a molecular weight of 316.76 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(2-fluorophenyl)-3-(methoxymethyl)pyrazole is sourced from PubChem (CID 67848090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).