N-ethyl-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 568893
• Molecular Formular: C16H18N4
• Molecular Mass: 266.34092
• Monoisotopic Mass: 266.1531466
• SMILES: n12c(nc(cc1N(CC)C)c1ccccc1)cc(n2)C
• Canonical SMILES: CCN(c1cc(nc2n1nc(c2)C)c1ccccc1)C
• InChI: InChI=1S/C16H18N4/c1-4-19(3)16-11-14(13-8-6-5-7-9-13)17-15-10-12(2)18-20(15)16/h5-11H,4H2,1-3H3
• InChIKey: YTIXSHQHSYWTFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-ethyl-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-ethyl-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3712375
• LogD (pH = 7.4): 3.3715572
• Log P: 3.3715613
• Molar Refractivity: 91.5598 cm^3
• Polarizability: 31.80374 Å^3
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.73
• LOG S: -4.33
• Polar Surface Area: 33.43 Å^2
• Rotatable Bonds: 3