1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone

C13H14N2O2 — CID 82128496

IUPAC1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
SMILESCOc1ccccc1-c1cc(C(C)=O)nn1C
InChIInChI=1S/C13H14N2O2/c1-9(16)11-8-12(15(2)14-11)10-6-4-5-7-13(10)17-3/h4-8H,1-3H3
InChIKeyNXOMCALDAFONMT-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.30
Rot. Bonds3

About 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone

1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone (PubChem CID 82128496) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
PubChem CID82128496
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
SMILESCOc1ccccc1-c1cc(C(C)=O)nn1C
InChIInChI=1S/C13H14N2O2/c1-9(16)11-8-12(15(2)14-11)10-6-4-5-7-13(10)17-3/h4-8H,1-3H3
InChIKeyNXOMCALDAFONMT-UHFFFAOYSA-N
XLogP2.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
5-(2-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827490
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
1-[5-(2,4-dimethylphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128339
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
5-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117487199
5-(2-hydroxy-3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136932005

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone (CID 82128496) is 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone is COc1ccccc1-c1cc(C(C)=O)nn1C.
What is the InChIKey of 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone?
The InChIKey is NXOMCALDAFONMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(16)11-8-12(15(2)14-11)10-6-4-5-7-13(10)17-3/h4-8H,1-3H3.
What are the key properties of 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone?
1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone has a molecular weight of 230.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone is sourced from PubChem (CID 82128496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).