N-(dicyclopropylmethyl)-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 612783
• Molecular Formular: C19H27N5O
• Molecular Mass: 341.45058
• Monoisotopic Mass: 341.22156051
• SMILES: c12c(C(=O)NC(C3CC3)C3CC3)cnn1cc(cn2)CN(CC)CC
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)NC(C1CC1)C1CC1)CC
• InChI: InChI=1S/C19H27N5O/c1-3-23(4-2)11-13-9-20-18-16(10-21-24(18)12-13)19(25)22-17(14-5-6-14)15-7-8-15/h9-10,12,14-15,17H,3-8,11H2,1-2H3,(H,22,25)
• InChIKey: SYNSOCMJVKCQHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(dicyclopropylmethyl)-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-(dicyclopropylmethyl)-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-(dicyclopropylmethyl)-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.890077
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8215113
• LogD (pH = 7.4): 0.93889445
• Log P: 2.0032232
• Molar Refractivity: 109.3428 cm^3
• Polarizability: 37.394344 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.53
• LOG S: -3.85
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 8