3-(2-methoxyethyl)-1-methyl-1H-pyrazol-5-amine

• ChemBase ID: 240384
• Molecular Formular: C7H13N3O
• Molecular Mass: 155.19762
• Monoisotopic Mass: 155.10586205
• SMILES: c1(n(nc(c1)CCOC)C)N
• Canonical SMILES: COCCc1nn(c(c1)N)C
• InChI: InChI=1S/C7H13N3O/c1-10-7(8)5-6(9-10)3-4-11-2/h5H,3-4,8H2,1-2H3
• InChIKey: AKXFFMCJCUWAEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethyl)-1-methyl-1H-pyrazol-5-amine
• IUPAC Traditional name: 5-(2-methoxyethyl)-2-methylpyrazol-3-amine
• Synonyms: 3-(2-methoxyethyl)-1-methyl-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD11209652
• PubChem SID: 164296294
• PubChem CID: 13861130

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.15811712
• LogD (pH = 7.4): -0.14444484
• Log P: -0.14426771
• Molar Refractivity: 54.6594 cm^3
• Polarizability: 16.185617 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.851

Product Information

• Purity: 95%