2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole

C11H10F4N2 — CID 150560380

IUPAC2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCc1cc(F)ccc1N1CCC(C(F)(F)F)=N1
InChIInChI=1S/C11H10F4N2/c1-7-6-8(12)2-3-9(7)17-5-4-10(16-17)11(13,14)15/h2-3,6H,4-5H2,1H3
InChIKeyIJSPKQOGXWJRAU-UHFFFAOYSA-N
MW246.21 g/mol
LogP3.26
Rot. Bonds1

About 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole

2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole (PubChem CID 150560380) has the molecular formula C11H10F4N2 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
PubChem CID150560380
Molecular FormulaC11H10F4N2
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCc1cc(F)ccc1N1CCC(C(F)(F)F)=N1
InChIInChI=1S/C11H10F4N2/c1-7-6-8(12)2-3-9(7)17-5-4-10(16-17)11(13,14)15/h2-3,6H,4-5H2,1H3
InChIKeyIJSPKQOGXWJRAU-UHFFFAOYSA-N
XLogP3.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole (CID 150560380) is 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole is Cc1cc(F)ccc1N1CCC(C(F)(F)F)=N1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole?
The InChIKey is IJSPKQOGXWJRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N2/c1-7-6-8(12)2-3-9(7)17-5-4-10(16-17)11(13,14)15/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole?
2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole has a molecular weight of 246.21 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 150560380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).