3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole

C17H13F3N2 — CID 56590688

IUPAC3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)12-22-16(14-9-5-2-6-10-14)11-15(21-22)13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyNNYSWUGCOYLPIM-UHFFFAOYSA-N
MW302.30 g/mol
LogP4.78
Rot. Bonds3

About 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole

3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 56590688) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID56590688
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESFC(F)(F)Cn1nc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)12-22-16(14-9-5-2-6-10-14)11-15(21-22)13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyNNYSWUGCOYLPIM-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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E-55888
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3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137980
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 56590688) is 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole is FC(F)(F)Cn1nc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is NNYSWUGCOYLPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c18-17(19,20)12-22-16(14-9-5-2-6-10-14)11-15(21-22)13-7-3-1-4-8-13/h1-11H,12H2.
What are the key properties of 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole?
3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 302.30 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 56590688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).