4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole

C11H8ClF3N2 — CID 10355265

IUPAC4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(-c2ccc(Cl)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3N2/c1-17-6-9(10(16-17)11(13,14)15)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyFIKMEXKWOXKNFW-UHFFFAOYSA-N
MW260.65 g/mol
LogP3.76
Rot. Bonds1

About 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole

4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 10355265) has the molecular formula C11H8ClF3N2 and a molecular weight of 260.65 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID10355265
Molecular FormulaC11H8ClF3N2
Molecular Weight260.65 g/mol
Exact Mass260.03
IUPAC Name4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(-c2ccc(Cl)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3N2/c1-17-6-9(10(16-17)11(13,14)15)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyFIKMEXKWOXKNFW-UHFFFAOYSA-N
XLogP3.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.65
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 10355265) is 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole is Cn1cc(-c2ccc(Cl)cc2)c(C(F)(F)F)n1.
What is the InChIKey of 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is FIKMEXKWOXKNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2/c1-17-6-9(10(16-17)11(13,14)15)7-2-4-8(12)5-3-7/h2-6H,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole?
4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 260.65 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10355265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).