1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

C15H15F3N2O — CID 102811683

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCCc1nn(C)cc1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-3-13-12(9-20(2)19-13)14(21)8-10-4-6-11(7-5-10)15(16,17)18/h4-7,9H,3,8H2,1-2H3
InChIKeyKSWQEJJLAZRLEE-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.43
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 102811683) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID102811683
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCCc1nn(C)cc1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-3-13-12(9-20(2)19-13)14(21)8-10-4-6-11(7-5-10)15(16,17)18/h4-7,9H,3,8H2,1-2H3
InChIKeyKSWQEJJLAZRLEE-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 102811683) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is CCc1nn(C)cc1C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is KSWQEJJLAZRLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-3-13-12(9-20(2)19-13)14(21)8-10-4-6-11(7-5-10)15(16,17)18/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 296.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 102811683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).