2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole

C10H9F3N2 — CID 91039694

IUPAC2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole
SMILESFC(F)(F)C1CC=NN1c1ccccc1
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9-6-7-14-15(9)8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKeyQDJHWNYPIKZUFY-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.81
Rot. Bonds1

About 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole

2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole (PubChem CID 91039694) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole
PubChem CID91039694
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole
SMILESFC(F)(F)C1CC=NN1c1ccccc1
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9-6-7-14-15(9)8-4-2-1-3-5-8/h1-5,7,9H,6H2
InChIKeyQDJHWNYPIKZUFY-UHFFFAOYSA-N
XLogP2.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
The IUPAC name of 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole (CID 91039694) is 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole is FC(F)(F)C1CC=NN1c1ccccc1.
What is the InChIKey of 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
The InChIKey is QDJHWNYPIKZUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c11-10(12,13)9-6-7-14-15(9)8-4-2-1-3-5-8/h1-5,7,9H,6H2.
What are the key properties of 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole has a molecular weight of 214.19 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trifluoromethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 91039694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).