{[1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}(methyl)amine

• ChemBase ID: 267419
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: c1(c(n(nc1C)CCOC)C)CNC
• Canonical SMILES: CNCc1c(C)nn(c1C)CCOC
• InChI: InChI=1S/C10H19N3O/c1-8-10(7-11-3)9(2)13(12-8)5-6-14-4/h11H,5-7H2,1-4H3
• InChIKey: BLAARAINTMTXKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl}(methyl)amine
• Synonyms: {[1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]methyl}(methyl)amine

Database IDs

• MDL Number: MFCD12103849
• PubChem SID: 164323329
• PubChem CID: 43647627

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8548768
• LogD (pH = 7.4): -1.4971781
• Log P: 0.24341069
• Molar Refractivity: 68.9941 cm^3
• Polarizability: 22.000872 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.128

Product Information

• Purity: 95%