4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

C17H16N4O2 — CID 628002

IUPAC4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCOc1ccccc1/N=N/c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C17H16N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)23-2)17(22)21(20-12)13-8-4-3-5-9-13/h3-11,20H,1-2H3/b19-18+
InChIKeyDXOYLNFZQAGRCF-VHEBQXMUSA-N
MW308.34 g/mol
LogP3.90
Rot. Bonds4

About 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 628002) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID628002
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCOc1ccccc1/N=N/c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C17H16N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)23-2)17(22)21(20-12)13-8-4-3-5-9-13/h3-11,20H,1-2H3/b19-18+
InChIKeyDXOYLNFZQAGRCF-VHEBQXMUSA-N
XLogP3.90
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-[(3-methoxyphenyl)hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one
CID 555075
4-bromo-5-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-1-methyl-2-phenyl-1H-pyrazol-3(2H)-one
CID 54584258
4-[(E)-(2-Methoxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol
CID 615977
5-methyl-4-[(2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-phenyl-1H-pyrazol-3-one
CID 174326
2-(4-methoxyphenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 3240576
2,4-Dihydro-4-((2-methoxyphenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-one
CID 62545
3-chloro-4-(2-methoxyanilino)-1-phenyl-1H-pyrrole-2,5-dione
CID 718925
1-{3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl}-2-phenyl-1,2-dihydro-3,6-pyridazinedione
CID 45482876
1-{4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl}-2-phenyl-1,2-dihydro-3,6-pyridazinedione
CID 45482879
4-[(4-Ethoxy-phenyl)-hydrazono]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 748793
4-[(2-Ethoxy-phenyl)-hydrazono]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 748795
4-[(4-Amino-3-methoxyphenyl)diazenyl]-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
CID 3118907

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CID 628002) is 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is COc1ccccc1/N=N/c1c(C)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is DXOYLNFZQAGRCF-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-16(19-18-14-10-6-7-11-15(14)23-2)17(22)21(20-12)13-8-4-3-5-9-13/h3-11,20H,1-2H3/b19-18+.
What are the key properties of 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one?
4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 308.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 628002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).