2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine

C21H18N4 — CID 2416350

IUPAC2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H18N4/c22-18-13-7-8-14-19(18)23-21-15-20(16-9-3-1-4-10-16)24-25(21)17-11-5-2-6-12-17/h1-15,23H,22H2
InChIKeyQOKHRGPCHYZJNW-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.87
Rot. Bonds4

About 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine

2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine (PubChem CID 2416350) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine
PubChem CID2416350
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine
SMILESNc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H18N4/c22-18-13-7-8-14-19(18)23-21-15-20(16-9-3-1-4-10-16)24-25(21)17-11-5-2-6-12-17/h1-15,23H,22H2
InChIKeyQOKHRGPCHYZJNW-UHFFFAOYSA-N
XLogP4.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine (CID 2416350) is 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine is Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine?
The InChIKey is QOKHRGPCHYZJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c22-18-13-7-8-14-19(18)23-21-15-20(16-9-3-1-4-10-16)24-25(21)17-11-5-2-6-12-17/h1-15,23H,22H2.
What are the key properties of 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine?
2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine has a molecular weight of 326.40 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-diphenylpyrazol-5-yl)benzene-1,2-diamine is sourced from PubChem (CID 2416350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).