5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one

C11H12N2O2 — CID 15145018

IUPAC5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(C)C(=O)C2)cc1
InChIInChI=1S/C11H12N2O2/c1-13-11(14)7-10(12-13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyNXBVNTCZEKBZTM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.26
Rot. Bonds2

About 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one

5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one (PubChem CID 15145018) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
PubChem CID15145018
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(C)C(=O)C2)cc1
InChIInChI=1S/C11H12N2O2/c1-13-11(14)7-10(12-13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyNXBVNTCZEKBZTM-UHFFFAOYSA-N
XLogP1.26
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one (CID 15145018) is 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one is COc1ccc(C2=NN(C)C(=O)C2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one?
The InChIKey is NXBVNTCZEKBZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-11(14)7-10(12-13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one?
5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 15145018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).