1-benzyl-5-chloro-3-(difluoromethyl)pyrazole

C11H9ClF2N2 — CID 66022590

IUPAC1-benzyl-5-chloro-3-(difluoromethyl)pyrazole
SMILESFC(F)c1cc(Cl)n(Cc2ccccc2)n1
InChIInChI=1S/C11H9ClF2N2/c12-10-6-9(11(13)14)15-16(10)7-8-4-2-1-3-5-8/h1-6,11H,7H2
InChIKeyHWGUDVPETMBZAS-UHFFFAOYSA-N
MW242.66 g/mol
LogP3.52
Rot. Bonds3

About 1-benzyl-5-chloro-3-(difluoromethyl)pyrazole

1-benzyl-5-chloro-3-(difluoromethyl)pyrazole (PubChem CID 66022590) has the molecular formula C11H9ClF2N2 and a molecular weight of 242.66 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-(difluoromethyl)pyrazole.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-(difluoromethyl)pyrazole
PubChem CID66022590
Molecular FormulaC11H9ClF2N2
Molecular Weight242.66 g/mol
Exact Mass242.04
IUPAC Name1-benzyl-5-chloro-3-(difluoromethyl)pyrazole
SMILESFC(F)c1cc(Cl)n(Cc2ccccc2)n1
InChIInChI=1S/C11H9ClF2N2/c12-10-6-9(11(13)14)15-16(10)7-8-4-2-1-3-5-8/h1-6,11H,7H2
InChIKeyHWGUDVPETMBZAS-UHFFFAOYSA-N
XLogP3.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-5-chloro-3-(difluoromethyl)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-benzyl-5-chloro-3-(difluoromethyl)pyrazole?
The IUPAC name of 1-benzyl-5-chloro-3-(difluoromethyl)pyrazole (CID 66022590) is 1-benzyl-5-chloro-3-(difluoromethyl)pyrazole.
What is the SMILES notation for 1-benzyl-5-chloro-3-(difluoromethyl)pyrazole?
The canonical SMILES for 1-benzyl-5-chloro-3-(difluoromethyl)pyrazole is FC(F)c1cc(Cl)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-5-chloro-3-(difluoromethyl)pyrazole?
The InChIKey is HWGUDVPETMBZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2/c12-10-6-9(11(13)14)15-16(10)7-8-4-2-1-3-5-8/h1-6,11H,7H2.
What are the key properties of 1-benzyl-5-chloro-3-(difluoromethyl)pyrazole?
1-benzyl-5-chloro-3-(difluoromethyl)pyrazole has a molecular weight of 242.66 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-(difluoromethyl)pyrazole is sourced from PubChem (CID 66022590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).