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

C12H11F3N2 — CID 57385177

IUPAC3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1C(F)(F)F
InChIInChI=1S/C12H11F3N2/c1-8-11(12(13,14)15)9(2)17(16-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyOBEVIAJNKZWHQH-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.51
Rot. Bonds1

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

3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole (PubChem CID 57385177) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole
PubChem CID57385177
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1C(F)(F)F
InChIInChI=1S/C12H11F3N2/c1-8-11(12(13,14)15)9(2)17(16-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyOBEVIAJNKZWHQH-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

3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
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
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
4-bromo-3,5-dimethyl-1-phenyl-1H-pyrazole
CID 7039162
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-phenyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole (CID 57385177) is 3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole is Cc1nn(-c2ccccc2)c(C)c1C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole?
The InChIKey is OBEVIAJNKZWHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-8-11(12(13,14)15)9(2)17(16-8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazole?
3,5-dimethyl-1-phenyl-4-(trifluoromethyl)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-phenyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 57385177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).