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

C10H7F3N2 — CID 611322

IUPAC3-phenyl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKeyKJKWJOAARUHGNU-UHFFFAOYSA-N
MW212.17 g/mol
LogP3.10
Rot. Bonds1

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

3-phenyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 611322) has the molecular formula C10H7F3N2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID611322
Molecular FormulaC10H7F3N2
Molecular Weight212.17 g/mol
Exact Mass212.06
IUPAC Name3-phenyl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H7F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKeyKJKWJOAARUHGNU-UHFFFAOYSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-phenyl-5-(trifluoromethyl)-1H-pyrazole (CID 611322) is 3-phenyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-phenyl-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is KJKWJOAARUHGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15).
What are the key properties of 3-phenyl-5-(trifluoromethyl)-1H-pyrazole?
3-phenyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 212.17 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 611322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).