N-methoxy-N-methyl-1H-indazole-3-carboxamide

• ChemBase ID: 291725
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: O=C(c1n[nH]c2c1cccc2)N(OC)C
• Canonical SMILES: CON(C(=O)c1n[nH]c2c1cccc2)C
• InChI: InChI=1S/C10H11N3O2/c1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9/h3-6H,1-2H3,(H,11,12)
• InChIKey: NRQALXRUZKPBKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-methoxy-N-methyl-1H-indazole-3-carboxamide
• Synonyms: N-Methoxy-N-methyl-1H-indazole-3-carboxamide

Database IDs

• CAS Number: 351457-12-0
• MDL Number: MFCD11809319
• PubChem SID: 180677256
• PubChem CID: 16036867

CALCULATED PROPERTIES

• Acid pKa: 9.916659
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.131237
• LogD (pH = 7.4): 1.129966
• Log P: 1.1312534
• Molar Refractivity: 55.9231 cm^3
• Polarizability: 21.859 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%