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

C11H9F3N2 — CID 59694029

IUPAC1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCn1ccc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2/c1-16-7-6-10(15-16)8-2-4-9(5-3-8)11(12,13)14/h2-7H,1H3
InChIKeyZRLIHVSSLSXJRO-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.11
Rot. Bonds1

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

1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 59694029) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID59694029
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCn1ccc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N2/c1-16-7-6-10(15-16)8-2-4-9(5-3-8)11(12,13)14/h2-7H,1H3
InChIKeyZRLIHVSSLSXJRO-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-3-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole (CID 59694029) is 1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole is Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is ZRLIHVSSLSXJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-16-7-6-10(15-16)8-2-4-9(5-3-8)11(12,13)14/h2-7H,1H3.
What are the key properties of 1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
1-methyl-3-[4-(trifluoromethyl)phenyl]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-3-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 59694029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).