5-methoxy-1,3-dimethyl-1H-pyrazol-4-amine

• ChemBase ID: 275381
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: c1(c(c(nn1C)C)N)OC
• Canonical SMILES: COc1n(C)nc(c1N)C
• InChI: InChI=1S/C6H11N3O/c1-4-5(7)6(10-3)9(2)8-4/h7H2,1-3H3
• InChIKey: YGJWTXRSKNXUAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1,3-dimethyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 5-methoxy-1,3-dimethylpyrazol-4-amine
• Synonyms: 5-methoxy-1,3-dimethyl-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD12136921
• PubChem SID: 164331291
• PubChem CID: 43554365

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.36533663
• LogD (pH = 7.4): -0.36483654
• Log P: -0.36483017
• Molar Refractivity: 49.9698 cm^3
• Polarizability: 14.34432 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.152

Product Information

• Purity: 95%