4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline

C21H17N3 — CID 46888160

IUPAC4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline
SMILESNc1ccc(-c2cc(-c3ccccc3-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C21H17N3/c22-17-12-10-16(11-13-17)20-14-21(24-23-20)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-14H,22H2,(H,23,24)
InChIKeyXJUNAFNZGCTBEX-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.99
Rot. Bonds3

About 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline

4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline (PubChem CID 46888160) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline.

Molecular Properties

Compound Name4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline
PubChem CID46888160
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline
SMILESNc1ccc(-c2cc(-c3ccccc3-c3ccccc3)[nH]n2)cc1
InChIInChI=1S/C21H17N3/c22-17-12-10-16(11-13-17)20-14-21(24-23-20)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-14H,22H2,(H,23,24)
InChIKeyXJUNAFNZGCTBEX-UHFFFAOYSA-N
XLogP4.99
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline 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-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline?
The IUPAC name of 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline (CID 46888160) is 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline.
What is the SMILES notation for 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline?
The canonical SMILES for 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline is Nc1ccc(-c2cc(-c3ccccc3-c3ccccc3)[nH]n2)cc1.
What is the InChIKey of 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline?
The InChIKey is XJUNAFNZGCTBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c22-17-12-10-16(11-13-17)20-14-21(24-23-20)19-9-5-4-8-18(19)15-6-2-1-3-7-15/h1-14H,22H2,(H,23,24).
What are the key properties of 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline?
4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline has a molecular weight of 311.39 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-phenylphenyl)-1H-pyrazol-3-yl]aniline is sourced from PubChem (CID 46888160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).