4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine

C18H19N5 — CID 764724

IUPAC4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1cccc(/N=N/c2c(C)nn(-c3ccccc3)c2N)c1C
InChIInChI=1S/C18H19N5/c1-12-8-7-11-16(13(12)2)20-21-17-14(3)22-23(18(17)19)15-9-5-4-6-10-15/h4-11H,19H2,1-3H3/b21-20+
InChIKeyPJMWKABOWUBKAB-QZQOTICOSA-N
MW305.39 g/mol
LogP4.80
Rot. Bonds3

About 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine

4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine (PubChem CID 764724) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine
PubChem CID764724
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1cccc(/N=N/c2c(C)nn(-c3ccccc3)c2N)c1C
InChIInChI=1S/C18H19N5/c1-12-8-7-11-16(13(12)2)20-21-17-14(3)22-23(18(17)19)15-9-5-4-6-10-15/h4-11H,19H2,1-3H3/b21-20+
InChIKeyPJMWKABOWUBKAB-QZQOTICOSA-N
XLogP4.80
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.80
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-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine 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

CID 202779
CID 202779
CID 775688
CID 775688
CID 619285
CID 619285
CID 23646852
CID 23646852
CID 25174101
CID 25174101
CID 199969
CID 199969
CID 1478026
CID 1478026
CID 2060622
CID 2060622
CID 2517678
CID 2517678
CID 936840
CID 936840
CID 112855
CID 112855
CID 854142
CID 854142

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine (CID 764724) is 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine is Cc1cccc(/N=N/c2c(C)nn(-c3ccccc3)c2N)c1C.
What is the InChIKey of 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
The InChIKey is PJMWKABOWUBKAB-QZQOTICOSA-N. The full InChI is InChI=1S/C18H19N5/c1-12-8-7-11-16(13(12)2)20-21-17-14(3)22-23(18(17)19)15-9-5-4-6-10-15/h4-11H,19H2,1-3H3/b21-20+.
What are the key properties of 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine has a molecular weight of 305.39 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 764724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).