1-(methoxymethyl)-1H-pyrazol-4-amine

• ChemBase ID: 277040
• Molecular Formular: C5H9N3O
• Molecular Mass: 127.14446
• Monoisotopic Mass: 127.07456192
• SMILES: n1n(cc(c1)N)COC
• Canonical SMILES: COCn1cc(cn1)N
• InChI: InChI=1S/C5H9N3O/c1-9-4-8-3-5(6)2-7-8/h2-3H,4,6H2,1H3
• InChIKey: MIBJLZRVWQFOMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-(methoxymethyl)pyrazol-4-amine
• Synonyms: 1-(methoxymethyl)-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD04969823
• PubChem SID: 164332950
• PubChem CID: 7017634

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3647165
• LogD (pH = 7.4): -0.36469492
• Log P: -0.36469465
• Molar Refractivity: 45.5148 cm^3
• Polarizability: 12.678609 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.676

Product Information

• Purity: 95%