3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

C13H13F3N2 — CID 122451400

IUPAC3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCCc1nn(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C13H13F3N2/c1-3-12-9(2)8-18(17-12)11-6-4-10(5-7-11)13(14,15)16/h4-8H,3H2,1-2H3
InChIKeyAWKWUCIUVKWTLF-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.76
Rot. Bonds2

About 3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole

3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 122451400) has the molecular formula C13H13F3N2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID122451400
Molecular FormulaC13H13F3N2
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCCc1nn(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C13H13F3N2/c1-3-12-9(2)8-18(17-12)11-6-4-10(5-7-11)13(14,15)16/h4-8H,3H2,1-2H3
InChIKeyAWKWUCIUVKWTLF-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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 122451400) is 3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is CCc1nn(-c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is AWKWUCIUVKWTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2/c1-3-12-9(2)8-18(17-12)11-6-4-10(5-7-11)13(14,15)16/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]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-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 122451400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).