3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole

C12H9ClF4N2 — CID 11000843

IUPAC3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(-c2cc(C(F)(F)F)n(C)n2)c(F)cc1Cl
InChIInChI=1S/C12H9ClF4N2/c1-6-3-7(9(14)4-8(6)13)10-5-11(12(15,16)17)19(2)18-10/h3-5H,1-2H3
InChIKeyYNQXHQDFBVIEDP-UHFFFAOYSA-N
MW292.66 g/mol
LogP4.21
Rot. Bonds1

About 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole

3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 11000843) has the molecular formula C12H9ClF4N2 and a molecular weight of 292.66 g/mol. Its IUPAC name is 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID11000843
Molecular FormulaC12H9ClF4N2
Molecular Weight292.66 g/mol
Exact Mass292.04
IUPAC Name3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(-c2cc(C(F)(F)F)n(C)n2)c(F)cc1Cl
InChIInChI=1S/C12H9ClF4N2/c1-6-3-7(9(14)4-8(6)13)10-5-11(12(15,16)17)19(2)18-10/h3-5H,1-2H3
InChIKeyYNQXHQDFBVIEDP-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.66
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)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 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole (CID 11000843) is 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole is Cc1cc(-c2cc(C(F)(F)F)n(C)n2)c(F)cc1Cl.
What is the InChIKey of 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is YNQXHQDFBVIEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N2/c1-6-3-7(9(14)4-8(6)13)10-5-11(12(15,16)17)19(2)18-10/h3-5H,1-2H3.
What are the key properties of 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole?
3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 292.66 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 11000843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).