3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole

C12H11F3N2 — CID 2740504

IUPAC3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCc1cc(C)n(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N2/c1-8-7-9(2)17(16-8)11-5-3-10(4-6-11)12(13,14)15/h3-7H,1-2H3
InChIKeyFGQHYQKTSCYIRX-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.51
Rot. Bonds1

About 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole

3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 2740504) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID2740504
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCc1cc(C)n(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N2/c1-8-7-9(2)17(16-8)11-5-3-10(4-6-11)12(13,14)15/h3-7H,1-2H3
InChIKeyFGQHYQKTSCYIRX-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline
CID 2740668
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 57401854
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
4-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzenamine
CID 718051
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1,3,5-Triphenylpyrazole
CID 626614
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 2740504) is 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole is Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is FGQHYQKTSCYIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-8-7-9(2)17(16-8)11-5-3-10(4-6-11)12(13,14)15/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 240.23 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 2740504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).