2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine

C22H20N4 — CID 2423952

IUPAC2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2N)cc1
InChIInChI=1S/C22H20N4/c1-16-11-13-18(14-12-16)26-22(24-20-10-6-5-9-19(20)23)15-21(25-26)17-7-3-2-4-8-17/h2-15,24H,23H2,1H3
InChIKeyPMUPQNIDIMQBFR-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.17
Rot. Bonds4

About 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine

2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine (PubChem CID 2423952) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine
PubChem CID2423952
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2N)cc1
InChIInChI=1S/C22H20N4/c1-16-11-13-18(14-12-16)26-22(24-20-10-6-5-9-19(20)23)15-21(25-26)17-7-3-2-4-8-17/h2-15,24H,23H2,1H3
InChIKeyPMUPQNIDIMQBFR-UHFFFAOYSA-N
XLogP5.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine 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 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine?
The IUPAC name of 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine (CID 2423952) is 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine is Cc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2N)cc1.
What is the InChIKey of 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine?
The InChIKey is PMUPQNIDIMQBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-16-11-13-18(14-12-16)26-22(24-20-10-6-5-9-19(20)23)15-21(25-26)17-7-3-2-4-8-17/h2-15,24H,23H2,1H3.
What are the key properties of 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine?
2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine has a molecular weight of 340.43 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]benzene-1,2-diamine is sourced from PubChem (CID 2423952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).