1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole

C12H9F3N2 — CID 11846240

IUPAC1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(/C=C/c2ccccc2)n1
InChIInChI=1S/C12H9F3N2/c13-12(14,15)11-7-9-17(16-11)8-6-10-4-2-1-3-5-10/h1-9H/b8-6+
InChIKeyBAOAMRJMEMJLLP-SOFGYWHQSA-N
MW238.21 g/mol
LogP3.53
Rot. Bonds2

About 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole

1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole (PubChem CID 11846240) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole
PubChem CID11846240
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(/C=C/c2ccccc2)n1
InChIInChI=1S/C12H9F3N2/c13-12(14,15)11-7-9-17(16-11)8-6-10-4-2-1-3-5-10/h1-9H/b8-6+
InChIKeyBAOAMRJMEMJLLP-SOFGYWHQSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole (CID 11846240) is 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(/C=C/c2ccccc2)n1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is BAOAMRJMEMJLLP-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-12(14,15)11-7-9-17(16-11)8-6-10-4-2-1-3-5-10/h1-9H/b8-6+.
What are the key properties of 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole?
1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 238.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 11846240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).