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

• ChemBase ID: 308995
• Molecular Formular: C6H11N3O
• Molecular Mass: 141.17104
• Monoisotopic Mass: 141.09021199
• SMILES: c1(c(nn(c1C)C)OC)N
• Canonical SMILES: COc1nn(c(c1N)C)C
• InChI: InChI=1S/C6H11N3O/c1-4-5(7)6(10-3)8-9(4)2/h7H2,1-3H3
• InChIKey: OANNGOSSNLIIIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1211264-90-2
• MDL Number: MFCD12827516

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.20851585
• LogD (pH = 7.4): 0.20852736
• Log P: 0.2085275
• Molar Refractivity: 51.5882 cm^3
• Polarizability: 14.343323 Å^3
• Polar Surface Area: 53.07 Å^2