1-(1-methyl-1H-pyrazol-4-yl)-2-(pyrrolidin-2-yl)ethan-1-ol

• ChemBase ID: 244937
• Molecular Formular: C10H17N3O
• Molecular Mass: 195.26148
• Monoisotopic Mass: 195.13716218
• SMILES: c1(cn(nc1)C)C(CC1NCCC1)O
• Canonical SMILES: Cn1ncc(c1)C(CC1CCCN1)O
• InChI: InChI=1S/C10H17N3O/c1-13-7-8(6-12-13)10(14)5-9-3-2-4-11-9/h6-7,9-11,14H,2-5H2,1H3
• InChIKey: WDVCKBJBQXWOPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-methyl-1H-pyrazol-4-yl)-2-(pyrrolidin-2-yl)ethan-1-ol
• IUPAC Traditional name: 1-(1-methylpyrazol-4-yl)-2-(pyrrolidin-2-yl)ethanol
• Synonyms: 1-(1-methyl-1H-pyrazol-4-yl)-2-(pyrrolidin-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD23144014
• PubChem SID: 164300847
• PubChem CID: 71757620

CALCULATED PROPERTIES

• LogD (pH = 5.5): -3.3816862
• LogD (pH = 7.4): -3.074215
• Log P: -0.14535597
• Molar Refractivity: 66.2485 cm^3
• Polarizability: 21.359293 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.116008
• H Acceptors: 3
• H Donor: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.334

Product Information

• Purity: 95%