1-(pyrrolidin-3-yl)-1H-indazole

• ChemBase ID: 248959
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: n1(ncc2c1cccc2)C1CCNC1
• Canonical SMILES: C1NCC(C1)n1ncc2c1cccc2
• InChI: InChI=1S/C11H13N3/c1-2-4-11-9(3-1)7-13-14(11)10-5-6-12-8-10/h1-4,7,10,12H,5-6,8H2
• InChIKey: QOPKGPZIDCLFFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-3-yl)-1H-indazole
• IUPAC Traditional name: 1-(pyrrolidin-3-yl)indazole
• Synonyms: 1-(pyrrolidin-3-yl)-1H-indazole

Database IDs

• MDL Number: MFCD16709739
• PubChem SID: 164304869
• PubChem CID: 62327584

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2334034
• LogD (pH = 7.4): -1.9616468
• Log P: 1.0037822
• Molar Refractivity: 66.5801 cm^3
• Polarizability: 22.769335 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.213

Product Information

• Purity: 95%