1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-amine

• ChemBase ID: 235654
• Molecular Formular: C8H15N3O
• Molecular Mass: 169.2242
• Monoisotopic Mass: 169.12151212
• SMILES: n1(nc(c(c1C)N)C)CCOC
• Canonical SMILES: COCCn1nc(c(c1C)N)C
• InChI: InChI=1S/C8H15N3O/c1-6-8(9)7(2)11(10-6)4-5-12-3/h4-5,9H2,1-3H3
• InChIKey: OJFKWBPHMXLALP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-amine
• IUPAC Traditional name: 1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-amine
• Synonyms: 1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-amine

Database IDs

• MDL Number: MFCD11135962
• PubChem SID: 164291564
• PubChem CID: 28412447

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.14482719
• LogD (pH = 7.4): -0.14387624
• Log P: -0.1438641
• Molar Refractivity: 60.4465 cm^3
• Polarizability: 17.945837 Å^3
• Polar Surface Area: 53.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.025

Product Information

• Purity: 95%