1-(4-amino-1H-pyrazol-1-yl)-3-(pyrrolidin-1-yl)propan-2-ol

• ChemBase ID: 271565
• Molecular Formular: C10H18N4O
• Molecular Mass: 210.27612
• Monoisotopic Mass: 210.14806122
• SMILES: n1(ncc(c1)N)CC(CN1CCCC1)O
• Canonical SMILES: OC(Cn1ncc(c1)N)CN1CCCC1
• InChI: InChI=1S/C10H18N4O/c11-9-5-12-14(6-9)8-10(15)7-13-3-1-2-4-13/h5-6,10,15H,1-4,7-8,11H2
• InChIKey: FAZPWBUDHQVPBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-amino-1H-pyrazol-1-yl)-3-(pyrrolidin-1-yl)propan-2-ol
• IUPAC Traditional name: 1-(4-aminopyrazol-1-yl)-3-(pyrrolidin-1-yl)propan-2-ol
• Synonyms: 1-(4-amino-1H-pyrazol-1-yl)-3-(pyrrolidin-1-yl)propan-2-ol

Database IDs

• MDL Number: MFCD11654971
• PubChem SID: 164327475
• PubChem CID: 43369871

CALCULATED PROPERTIES

• Acid pKa: 14.365238
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.9613516
• LogD (pH = 7.4): -2.5372756
• Log P: -0.633713
• Molar Refractivity: 71.1844 cm^3
• Polarizability: 22.510763 Å^3
• Polar Surface Area: 67.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.429

Product Information

• Purity: 95%