1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone

C15H18N2O — CID 114965367

IUPAC1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)c2cccc(C)c2C)cn1
InChIInChI=1S/C15H18N2O/c1-4-17-10-13(9-16-17)8-15(18)14-7-5-6-11(2)12(14)3/h5-7,9-10H,4,8H2,1-3H3
InChIKeyJIRTVQCLFQADTM-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone

1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone (PubChem CID 114965367) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone
PubChem CID114965367
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone
SMILESCCn1cc(CC(=O)c2cccc(C)c2C)cn1
InChIInChI=1S/C15H18N2O/c1-4-17-10-13(9-16-17)8-15(18)14-7-5-6-11(2)12(14)3/h5-7,9-10H,4,8H2,1-3H3
InChIKeyJIRTVQCLFQADTM-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 62126241
1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 64713085
2-(1-ethylpyrazol-4-yl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029880
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
[1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291272
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63527519
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638
1-(6-bromonaphthalen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965347
1-(4-bromo-3-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 114965452
1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 115793097
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone (CID 114965367) is 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone is CCn1cc(CC(=O)c2cccc(C)c2C)cn1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
The InChIKey is JIRTVQCLFQADTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-17-10-13(9-16-17)8-15(18)14-7-5-6-11(2)12(14)3/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone?
1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-(1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 114965367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).