1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone

C14H16N2O — CID 115793097

IUPAC1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCc1cccc(C(=O)Cc2ccn(C)n2)c1C
InChIInChI=1S/C14H16N2O/c1-10-5-4-6-13(11(10)2)14(17)9-12-7-8-16(3)15-12/h4-8H,9H2,1-3H3
InChIKeyRYKPYLSPPIDYDL-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.46
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone

1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 115793097) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID115793097
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone
SMILESCc1cccc(C(=O)Cc2ccn(C)n2)c1C
InChIInChI=1S/C14H16N2O/c1-10-5-4-6-13(11(10)2)14(17)9-12-7-8-16(3)15-12/h4-8H,9H2,1-3H3
InChIKeyRYKPYLSPPIDYDL-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114977377
2-(1-methylpyrazol-3-yl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877704
1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784740
1-(4-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868497
2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105123749
1-(2-amino-4-chlorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868499
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
1-hydroxy-3-(1-methylpyrazol-3-yl)-1-phenylpropan-2-one
CID 103458285
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123838
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone (CID 115793097) is 1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone is Cc1cccc(C(=O)Cc2ccn(C)n2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is RYKPYLSPPIDYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-5-4-6-13(11(10)2)14(17)9-12-7-8-16(3)15-12/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone?
1-(2,3-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 228.30 g/mol, XLogP of 2.46, 3 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-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 115793097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).