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

C17H13F3N2 — CID 14874577

IUPAC3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(C2(C(F)(F)F)C=C(c3ccccc3)N=N2)cc1
InChIInChI=1S/C17H13F3N2/c1-12-7-9-14(10-8-12)16(17(18,19)20)11-15(21-22-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyPVKYGAWDTITMOW-UHFFFAOYSA-N
MW302.30 g/mol
LogP5.26
Rot. Bonds2

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

3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 14874577) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID14874577
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(C2(C(F)(F)F)C=C(c3ccccc3)N=N2)cc1
InChIInChI=1S/C17H13F3N2/c1-12-7-9-14(10-8-12)16(17(18,19)20)11-15(21-22-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyPVKYGAWDTITMOW-UHFFFAOYSA-N
XLogP5.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.30
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole (CID 14874577) is 3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole is Cc1ccc(C2(C(F)(F)F)C=C(c3ccccc3)N=N2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is PVKYGAWDTITMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c1-12-7-9-14(10-8-12)16(17(18,19)20)11-15(21-22-16)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole?
3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 302.30 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 14874577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).