[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl](ethyl)[(1-ethyl-1H-pyrazol-4-yl)methyl]amine

• ChemBase ID: 849629
• Molecular Formular: C15H24ClN5
• Molecular Mass: 309.83756
• Monoisotopic Mass: 309.17202347
• SMILES: c1(c(n(nc1CC)C)Cl)CN(Cc1cn(nc1)CC)CC
• Canonical SMILES: CCN(Cc1c(CC)nn(c1Cl)C)Cc1cnn(c1)CC
• InChI: InChI=1S/C15H24ClN5/c1-5-14-13(15(16)19(4)18-14)11-20(6-2)9-12-8-17-21(7-3)10-12/h8,10H,5-7,9,11H2,1-4H3
• InChIKey: QDVIRNFDMPADBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl](ethyl)[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
• IUPAC Traditional name: [(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl](ethyl)[(1-ethylpyrazol-4-yl)methyl]amine
• Synonyms: N-[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3205094
• LogD (pH = 7.4): 2.3080764
• Log P: 2.3594131
• Molar Refractivity: 110.5416 cm^3
• Polarizability: 33.299328 Å^3
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.71
• LOG S: -2.77
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7