1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-3-amine

• ChemBase ID: 272592
• Molecular Formular: C9H16N4O
• Molecular Mass: 196.24954
• Monoisotopic Mass: 196.13241115
• SMILES: n1n(ccc1N)CCN1CCOCC1
• Canonical SMILES: Nc1ccn(n1)CCN1CCOCC1
• InChI: InChI=1S/C9H16N4O/c10-9-1-2-13(11-9)4-3-12-5-7-14-8-6-12/h1-2H,3-8H2,(H2,10,11)
• InChIKey: LUQBLWNZBARCGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-3-amine
• IUPAC Traditional name: 1-[2-(morpholin-4-yl)ethyl]pyrazol-3-amine
• Synonyms: 1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-3-amine

Database IDs

• MDL Number: MFCD09965612
• PubChem SID: 164328502
• PubChem CID: 50989708

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1462287
• LogD (pH = 7.4): -0.094138645
• Log P: -0.03321848
• Molar Refractivity: 67.0689 cm^3
• Polarizability: 20.73784 Å^3
• Polar Surface Area: 56.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.472

Product Information

• Purity: 95%