1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole

C17H13F3N2 — CID 13392251

IUPAC1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)16-11-15(14-9-5-2-6-10-14)22(21-16)12-13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyJSGFKDSAAOWLNS-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.62
Rot. Bonds3

About 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole

1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole (PubChem CID 13392251) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole
PubChem CID13392251
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)16-11-15(14-9-5-2-6-10-14)22(21-16)12-13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyJSGFKDSAAOWLNS-UHFFFAOYSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 39424
Difenzoquat
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1-benzyl-3-phenyl-1H-pyrazol-5-amine
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2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
E-55888
CID 24825775
3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25113722
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137980
1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
(3,5-Diphenyl-pyrazol-1-yl)-acetic acid
CID 824607
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1-Methyl-3-phenyl-1H-pyrazole
CID 137946

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole (CID 13392251) is 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccccc2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole?
The InChIKey is JSGFKDSAAOWLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c18-17(19,20)16-11-15(14-9-5-2-6-10-14)22(21-16)12-13-7-3-1-4-8-13/h1-11H,12H2.
What are the key properties of 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole?
1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole has a molecular weight of 302.30 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-phenyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 13392251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).