3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 31517
• Molecular Formular: C19H19N3
• Molecular Mass: 289.37426
• Monoisotopic Mass: 289.15789762
• SMILES: c1(c2c([nH]n1)CCNC2)C(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1n[nH]c2c1CNCC2)c1ccccc1
• InChI: InChI=1S/C19H19N3/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)19-16-13-20-12-11-17(16)21-22-19/h1-10,18,20H,11-13H2,(H,21,22)
• InChIKey: BWEUTDCTFFGGTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 3-Benzhydryl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Database IDs

• MDL Number: MFCD07403547
• PubChem SID: 160994824
• PubChem CID: 6501612

CALCULATED PROPERTIES

• Acid pKa: 14.38468
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.3062796
• LogD (pH = 7.4): 1.9225223
• Log P: 3.209467
• Molar Refractivity: 90.2738 cm^3
• Polarizability: 34.363876 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false