1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone

C12H12N2O — CID 146082154

IUPAC1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(-c2ccccc2C)n1
InChIInChI=1S/C12H12N2O/c1-9-5-3-4-6-12(9)14-8-7-11(13-14)10(2)15/h3-8H,1-2H3
InChIKeyKJVREDHQQLDRMI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.38
Rot. Bonds2

About 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone

1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone (PubChem CID 146082154) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone
PubChem CID146082154
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(-c2ccccc2C)n1
InChIInChI=1S/C12H12N2O/c1-9-5-3-4-6-12(9)14-8-7-11(13-14)10(2)15/h3-8H,1-2H3
InChIKeyKJVREDHQQLDRMI-UHFFFAOYSA-N
XLogP2.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-3-(methylamino)prop-2-enoyl]-1-(2-methylphenyl)pyridazin-4-one
CID 58072222
2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 175734660
1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide
CID 166376122
1-(5-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28973980
1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide
CID 113388888
2-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64781141
3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 91675755
1-(4-methylpyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 84654900
1-(4-formyl-2-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 64781543
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55648066

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone (CID 146082154) is 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone is CC(=O)c1ccn(-c2ccccc2C)n1.
What is the InChIKey of 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone?
The InChIKey is KJVREDHQQLDRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-5-3-4-6-12(9)14-8-7-11(13-14)10(2)15/h3-8H,1-2H3.
What are the key properties of 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone?
1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone has a molecular weight of 200.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 146082154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).