3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole

C12H9F3N2 — CID 5346430

IUPAC3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C12H9F3N2/c13-12(14,15)11-8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,16,17)/b7-6+
InChIKeyAQBZVFYCSSTAJO-VOTSOKGWSA-N
MW238.21 g/mol
LogP3.60
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole

3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 5346430) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
PubChem CID5346430
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(/C=C/c2ccccc2)n[nH]1
InChIInChI=1S/C12H9F3N2/c13-12(14,15)11-8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,16,17)/b7-6+
InChIKeyAQBZVFYCSSTAJO-VOTSOKGWSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-5-phenyl-1H-pyrazole
CID 18774
1H-Pyrazole, 3,5-diphenyl-
CID 70840
3-Amino-5-phenylpyrazole
CID 136655
3-phenyl-1H-pyrazole
CID 17155
5-Phenyl-3-(p-tolyl)-1H-pyrazole
CID 11506914
3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
CID 800359
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260
2-(3-methyl-1H-pyrazol-5-yl)aniline
CID 713168
5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
Celecoxib N-des(benzenesulfonamide)
CID 4166967

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole (CID 5346430) is 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(/C=C/c2ccccc2)n[nH]1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is AQBZVFYCSSTAJO-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-12(14,15)11-8-10(16-17-11)7-6-9-4-2-1-3-5-9/h1-8H,(H,16,17)/b7-6+.
What are the key properties of 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole?
3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 238.21 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 5346430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).