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

C11H9F3N2 — CID 2740138

IUPAC1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2/c1-16-7-9(8-5-3-2-4-6-8)10(15-16)11(12,13)14/h2-7H,1H3
InChIKeyBOFRKALUNVXCNK-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.11
Rot. Bonds1

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

1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 2740138) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID2740138
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole
SMILESCn1cc(-c2ccccc2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2/c1-16-7-9(8-5-3-2-4-6-8)10(15-16)11(12,13)14/h2-7H,1H3
InChIKeyBOFRKALUNVXCNK-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole (CID 2740138) is 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole is Cn1cc(-c2ccccc2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is BOFRKALUNVXCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-16-7-9(8-5-3-2-4-6-8)10(15-16)11(12,13)14/h2-7H,1H3.
What are the key properties of 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole?
1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 226.20 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2740138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).