4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C18H19N5O2 — CID 3118907

IUPAC4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1cc(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N
InChIInChI=1S/C18H19N5O2/c1-12-17(21-20-13-9-10-15(19)16(11-13)25-3)18(24)23(22(12)2)14-7-5-4-6-8-14/h4-11H,19H2,1-3H3/b21-20+
InChIKeyGDLRISJAOGNLPD-QZQOTICOSA-N
MW337.38 g/mol
LogP3.49
Rot. Bonds4

About 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 3118907) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID3118907
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCOc1cc(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N
InChIInChI=1S/C18H19N5O2/c1-12-17(21-20-13-9-10-15(19)16(11-13)25-3)18(24)23(22(12)2)14-7-5-4-6-8-14/h4-11H,19H2,1-3H3/b21-20+
InChIKeyGDLRISJAOGNLPD-QZQOTICOSA-N
XLogP3.49
TPSA86.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 3118907) is 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one is COc1cc(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N.
What is the InChIKey of 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is GDLRISJAOGNLPD-QZQOTICOSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-17(21-20-13-9-10-15(19)16(11-13)25-3)18(24)23(22(12)2)14-7-5-4-6-8-14/h4-11H,19H2,1-3H3/b21-20+.
What are the key properties of 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 337.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methoxyphenyl)diazenyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 3118907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).