4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole

C11H10ClFN2 — CID 66437732

IUPAC4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
SMILESCc1c(CCl)cnn1-c1cccc(F)c1
InChIInChI=1S/C11H10ClFN2/c1-8-9(6-12)7-14-15(8)11-4-2-3-10(13)5-11/h2-5,7H,6H2,1H3
InChIKeyCLYQRZHHGDOFSX-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.06
Rot. Bonds2

About 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole

4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole (PubChem CID 66437732) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
PubChem CID66437732
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
SMILESCc1c(CCl)cnn1-c1cccc(F)c1
InChIInChI=1S/C11H10ClFN2/c1-8-9(6-12)7-14-15(8)11-4-2-3-10(13)5-11/h2-5,7H,6H2,1H3
InChIKeyCLYQRZHHGDOFSX-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole 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 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole?
The IUPAC name of 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole (CID 66437732) is 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole?
The canonical SMILES for 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole is Cc1c(CCl)cnn1-c1cccc(F)c1.
What is the InChIKey of 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole?
The InChIKey is CLYQRZHHGDOFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-8-9(6-12)7-14-15(8)11-4-2-3-10(13)5-11/h2-5,7H,6H2,1H3.
What are the key properties of 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole?
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole has a molecular weight of 224.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole is sourced from PubChem (CID 66437732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).