ethyl 6-amino-1H-indazole-7-carboxylate

• ChemBase ID: 293001
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: CCOC(=O)c1c2[nH]ncc2ccc1N
• Canonical SMILES: CCOC(=O)c1c(N)ccc2c1[nH]nc2
• InChI: InChI=1S/C10H11N3O2/c1-2-15-10(14)8-7(11)4-3-6-5-12-13-9(6)8/h3-5H,2,11H2,1H3,(H,12,13)
• InChIKey: SCTMZLMUCSXNGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-amino-1H-indazole-7-carboxylate
• IUPAC Traditional name: ethyl 6-amino-1H-indazole-7-carboxylate
• Synonyms: Ethyl 6-amino-1H-indazole-7-carboxylate

Database IDs

• CAS Number: 73907-99-0
• PubChem SID: 180678532
• PubChem CID: 70700930

CALCULATED PROPERTIES

• Acid pKa: 12.7081785
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4775883
• LogD (pH = 7.4): 1.4776636
• Log P: 1.4776666
• Molar Refractivity: 57.5474 cm^3
• Polarizability: 22.041874 Å^3
• Polar Surface Area: 81.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%