4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one

C11H12N4O2 — CID 615977

IUPAC4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccccc1/N=N/c1c(C)[nH][nH]c1=O
InChIInChI=1S/C11H12N4O2/c1-7-10(11(16)15-12-7)14-13-8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H2,12,15,16)/b14-13+
InChIKeyNRCCLBAIQUIZDX-BUHFOSPRSA-N
MW232.24 g/mol
LogP2.44
Rot. Bonds3

About 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one

4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 615977) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID615977
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccccc1/N=N/c1c(C)[nH][nH]c1=O
InChIInChI=1S/C11H12N4O2/c1-7-10(11(16)15-12-7)14-13-8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H2,12,15,16)/b14-13+
InChIKeyNRCCLBAIQUIZDX-BUHFOSPRSA-N
XLogP2.44
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one (CID 615977) is 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is COc1ccccc1/N=N/c1c(C)[nH][nH]c1=O.
What is the InChIKey of 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is NRCCLBAIQUIZDX-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-10(11(16)15-12-7)14-13-8-5-3-4-6-9(8)17-2/h3-6H,1-2H3,(H2,12,15,16)/b14-13+.
What are the key properties of 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one?
4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 232.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)diazenyl]-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 615977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).