1-(2-methoxyethyl)-1H-pyrazol-3-amine

• ChemBase ID: 267834
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: n1n(ccc1N)CCOC
• Canonical SMILES: COCCn1ccc(n1)N
• InChI: InChI=1S/C6H11N3O/c1-10-5-4-9-3-2-6(7)8-9/h2-3H,4-5H2,1H3,(H2,7,8)
• InChIKey: CIZWSGSWDKEWQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-1H-pyrazol-3-amine
• IUPAC Traditional name: 1-(2-methoxyethyl)pyrazol-3-amine
• Synonyms: 1-(2-methoxyethyl)-1H-pyrazol-3-amine

Database IDs

• MDL Number: MFCD09965616
• PubChem SID: 164323744
• PubChem CID: 45116728

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.113438666
• LogD (pH = 7.4): 0.11958304
• Log P: 0.11966194
• Molar Refractivity: 51.0188 cm^3
• Polarizability: 14.425532 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.337

Product Information

• Purity: 95%