1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone

C14H15F3N2O2 — CID 2863152

IUPAC1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
SMILESCCC1=NN(C(=O)Cc2ccccc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2O2/c1-2-11-9-13(21,14(15,16)17)19(18-11)12(20)8-10-6-4-3-5-7-10/h3-7,21H,2,8-9H2,1H3
InChIKeyAMKQEXBKNHUPJN-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.48
Rot. Bonds3

About 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone

1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone (PubChem CID 2863152) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
PubChem CID2863152
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
SMILESCCC1=NN(C(=O)Cc2ccccc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2O2/c1-2-11-9-13(21,14(15,16)17)19(18-11)12(20)8-10-6-4-3-5-7-10/h3-7,21H,2,8-9H2,1H3
InChIKeyAMKQEXBKNHUPJN-UHFFFAOYSA-N
XLogP2.48
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone (CID 2863152) is 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone is CCC1=NN(C(=O)Cc2ccccc2)C(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone?
The InChIKey is AMKQEXBKNHUPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c1-2-11-9-13(21,14(15,16)17)19(18-11)12(20)8-10-6-4-3-5-7-10/h3-7,21H,2,8-9H2,1H3.
What are the key properties of 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone?
1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone has a molecular weight of 300.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone is sourced from PubChem (CID 2863152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).