4-(1H-pyrazol-1-yl)-1H-indazol-3-amine

• ChemBase ID: 50227
• Molecular Formular: C10H9N5
• Molecular Mass: 199.21196
• Monoisotopic Mass: 199.08579531
• SMILES: c12c(n[nH]c2cccc1n1nccc1)N
• Canonical SMILES: Nc1n[nH]c2c1c(ccc2)n1cccn1
• InChI: InChI=1S/C10H9N5/c11-10-9-7(13-14-10)3-1-4-8(9)15-6-2-5-12-15/h1-6H,(H3,11,13,14)
• InChIKey: PDIXJKQMWMZREX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-pyrazol-1-yl)-1H-indazol-3-amine
• IUPAC Traditional name: 4-(pyrazol-1-yl)-1H-indazol-3-amine
• Synonyms: 4-(1H-Pyrazol-1-yl)-1H-indazol-3-ylamine

Database IDs

• MDL Number: MFCD09054758
• PubChem SID: 162054990
• PubChem CID: 53409859

CALCULATED PROPERTIES

• Acid pKa: 15.29078
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1467065
• LogD (pH = 7.4): 1.1476458
• Log P: 1.1476578
• Molar Refractivity: 59.4487 cm^3
• Polarizability: 22.869324 Å^3
• Polar Surface Area: 72.52 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false