(1H-indazol-5-ylmethyl)dimethylamine

• ChemBase ID: 87398
• Molecular Formular: C10H13N3
• Molecular Mass: 175.23032
• Monoisotopic Mass: 175.11094743
• SMILES: n1cc2cc(ccc2[nH]1)CN(C)C
• Canonical SMILES: CN(Cc1ccc2c(c1)cn[nH]2)C
• InChI: InChI=1S/C10H13N3/c1-13(2)7-8-3-4-10-9(5-8)6-11-12-10/h3-6H,7H2,1-2H3,(H,11,12)
• InChIKey: HFQBQDXXXNJHAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1H-indazol-5-ylmethyl)dimethylamine
• IUPAC Traditional name: (1H-indazol-5-ylmethyl)dimethylamine
• Synonyms: (1H-Indazol-5-ylmethyl)dimethylamine; 5-[(Dimethylamino)methyl]-1H-indazole

Database IDs

• PubChem SID: 162104478
• PubChem CID: 44119235

CALCULATED PROPERTIES

• Acid pKa: 13.555233
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9380991
• LogD (pH = 7.4): -0.32267967
• Log P: 1.2377044
• Molar Refractivity: 54.6158 cm^3
• Polarizability: 21.746824 Å^3
• Polar Surface Area: 31.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant