5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole

C17H13F3N2 — CID 10335064

IUPAC5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C17H13F3N2/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)21-22(15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyUHIHPRCEHZQZCL-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.87
Rot. Bonds2

About 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole

5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 10335064) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID10335064
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C17H13F3N2/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)21-22(15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyUHIHPRCEHZQZCL-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole (CID 10335064) is 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is UHIHPRCEHZQZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c1-12-7-9-13(10-8-12)15-11-16(17(18,19)20)21-22(15)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole?
5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 302.30 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10335064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).