5-ethyl-2,3-dimethyl-N-[(1-propyl-1H-imidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 502129
• Molecular Formular: C17H24N6
• Molecular Mass: 312.41266
• Monoisotopic Mass: 312.2062448
• SMILES: n12c(c(c(n1)C)C)nc(cc2NCc1n(ccn1)CCC)CC
• Canonical SMILES: CCCn1ccnc1CNc1cc(CC)nc2n1nc(c2C)C
• InChI: InChI=1S/C17H24N6/c1-5-8-22-9-7-18-16(22)11-19-15-10-14(6-2)20-17-12(3)13(4)21-23(15)17/h7,9-10,19H,5-6,8,11H2,1-4H3
• InChIKey: DZCLSWGUXDFIER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2,3-dimethyl-N-[(1-propyl-1H-imidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-ethyl-2,3-dimethyl-N-[(1-propylimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-ethyl-2,3-dimethyl-N-[(1-propyl-1H-imidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9365151
• LogD (pH = 7.4): 2.457062
• Log P: 2.4739153
• Molar Refractivity: 103.1355 cm^3
• Polarizability: 34.339783 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.0
• LOG S: -4.04
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6