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

C15H15F3N2O — CID 114972242

IUPAC1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCCCn1nccc1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-2-9-20-13(7-8-19-20)14(21)10-11-3-5-12(6-4-11)15(16,17)18/h3-8H,2,9-10H2,1H3
InChIKeyTVEQDRYTTPQEHK-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.74
Rot. Bonds5

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

1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 114972242) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID114972242
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESCCCn1nccc1C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-2-9-20-13(7-8-19-20)14(21)10-11-3-5-12(6-4-11)15(16,17)18/h3-8H,2,9-10H2,1H3
InChIKeyTVEQDRYTTPQEHK-UHFFFAOYSA-N
XLogP3.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63976549
2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63974862
2-propylpyrazole-3-carboxylic acid
CID 7017775
1-(3-ethyl-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 102811683
1-(1-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 112735754
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030
2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 114972349
1-propylsulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 65129885
[4-(aminomethyl)phenyl]-(2-propylpyrazol-3-yl)methanone
CID 116548209
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
2-(4-methylphenyl)sulfanyl-1-(2-propylpyrazol-3-yl)ethanone
CID 66064578

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 114972242) is 1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is CCCn1nccc1C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is TVEQDRYTTPQEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-2-9-20-13(7-8-19-20)14(21)10-11-3-5-12(6-4-11)15(16,17)18/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 296.29 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 114972242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).