3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole

C13H13F3N2 — CID 53443880

IUPAC3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)n(-c2ccccc2C)n1
InChIInChI=1S/C13H13F3N2/c1-3-10-8-12(13(14,15)16)18(17-10)11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3
InChIKeyQIDNHFQJPLETDN-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.76
Rot. Bonds2

About 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole

3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 53443880) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole
PubChem CID53443880
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)n(-c2ccccc2C)n1
InChIInChI=1S/C13H13F3N2/c1-3-10-8-12(13(14,15)16)18(17-10)11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3
InChIKeyQIDNHFQJPLETDN-UHFFFAOYSA-N
XLogP3.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
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
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole (CID 53443880) is 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole is CCc1cc(C(F)(F)F)n(-c2ccccc2C)n1.
What is the InChIKey of 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is QIDNHFQJPLETDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-3-10-8-12(13(14,15)16)18(17-10)11-7-5-4-6-9(11)2/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole?
3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 254.25 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 53443880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).