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

C16H19F3N2O3 — CID 3147030

IUPAC2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SMILESCCC1=NN(C(=O)COc2cc(C)cc(C)c2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O3/c1-4-12-8-15(23,16(17,18)19)21(20-12)14(22)9-24-13-6-10(2)5-11(3)7-13/h5-7,23H,4,8-9H2,1-3H3
InChIKeyOZWKHMJTBRWMAQ-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.93
Rot. Bonds4

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

2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone (PubChem CID 3147030) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
PubChem CID3147030
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SMILESCCC1=NN(C(=O)COc2cc(C)cc(C)c2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C16H19F3N2O3/c1-4-12-8-15(23,16(17,18)19)21(20-12)14(22)9-24-13-6-10(2)5-11(3)7-13/h5-7,23H,4,8-9H2,1-3H3
InChIKeyOZWKHMJTBRWMAQ-UHFFFAOYSA-N
XLogP2.93
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

1-(5-Butyl-5-hydroxy-3-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-2-phenoxy-ethanone
CID 3112709
1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,5-dimethylphenoxy)ethanone
CID 3147068
1-[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 614119
2-(4-chloro-3-methylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 3147029
1-(5-tert-Butyl-5-hydroxy-3-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-2-o-tolyloxy-ethanone
CID 3147067
2-(3,5-dimethylphenoxy)-1-[5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 3152045
5-tert-butyl-1-[(4-chloro-3-methylphenoxy)acetyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 15992543
1-[3-(4-Chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-(3,5-dimethylphenoxy)ethan-1-one
CID 15993153
2-(4-Chloro-3-methylphenoxy)-1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-YL]ethan-1-one
CID 15999266
1-[3-Butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-(4-chloro-3-methylphenoxy)ethan-1-one
CID 16001992
2-(4-chloro-3-methylphenoxy)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
CID 3146998
1-[(4-chloro-3,5-dimethylphenoxy)acetyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4137458

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone (CID 3147030) is 2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone is CCC1=NN(C(=O)COc2cc(C)cc(C)c2)C(O)(C(F)(F)F)C1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
The InChIKey is OZWKHMJTBRWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-4-12-8-15(23,16(17,18)19)21(20-12)14(22)9-24-13-6-10(2)5-11(3)7-13/h5-7,23H,4,8-9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone?
2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone has a molecular weight of 344.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone is sourced from PubChem (CID 3147030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).