N-(1H-indazol-3-yl)cyclopropanecarboxamide

• ChemBase ID: 260764
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1(n[nH]c2c1cccc2)NC(=O)C1CC1
• Canonical SMILES: O=C(C1CC1)Nc1n[nH]c2c1cccc2
• InChI: InChI=1S/C11H11N3O/c15-11(7-5-6-7)12-10-8-3-1-2-4-9(8)13-14-10/h1-4,7H,5-6H2,(H2,12,13,14,15)
• InChIKey: QPJGKUFTQPWOSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indazol-3-yl)cyclopropanecarboxamide
• IUPAC Traditional name: N-(1H-indazol-3-yl)cyclopropanecarboxamide
• Synonyms: N-(1H-indazol-3-yl)cyclopropanecarboxamide

Database IDs

• MDL Number: MFCD10668801
• PubChem SID: 164316674
• PubChem CID: 25347878

CALCULATED PROPERTIES

• Acid pKa: 11.372518
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9082688
• LogD (pH = 7.4): 1.9082278
• Log P: 1.9082718
• Molar Refractivity: 58.6488 cm^3
• Polarizability: 22.47804 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.78

Product Information

• Purity: 95%