2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one

C11H12N2O2 — CID 54414073

IUPAC2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
SMILESCOc1cccc(-n2[nH]c(C)cc2=O)c1
InChIInChI=1S/C11H12N2O2/c1-8-6-11(14)13(12-8)9-4-3-5-10(7-9)15-2/h3-7,12H,1-2H3
InChIKeyVWDHWJLPODGKGZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.48
Rot. Bonds2

About 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one

2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 54414073) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
PubChem CID54414073
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
SMILESCOc1cccc(-n2[nH]c(C)cc2=O)c1
InChIInChI=1S/C11H12N2O2/c1-8-6-11(14)13(12-8)9-4-3-5-10(7-9)15-2/h3-7,12H,1-2H3
InChIKeyVWDHWJLPODGKGZ-UHFFFAOYSA-N
XLogP1.48
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 66920137
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
CID 143937149
5-ethyl-2-(3-methoxyphenyl)-4-methyl-1H-pyrazol-3-one
CID 114798023
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
CID 2801248
5-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-phenoxybenzenesulfonic acid
CID 54405236
5-methoxy-2-phenyl-1H-pyrazol-3-one
CID 126736456
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
dimethyl 5-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzene-1,3-dicarboxylate
CID 91068057
2-(3-amino-4-bromophenyl)-5-methyl-1H-pyrazol-3-one
CID 82379581
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one (CID 54414073) is 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one is COc1cccc(-n2[nH]c(C)cc2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is VWDHWJLPODGKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-6-11(14)13(12-8)9-4-3-5-10(7-9)15-2/h3-7,12H,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one?
2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 54414073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).