N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-6-[(diethylamino)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 656279
• Molecular Formular: C19H25N7O
• Molecular Mass: 367.4481
• Monoisotopic Mass: 367.21205846
• SMILES: c12c(cnn1cc(cn2)CN(CC)CC)C(=O)NCc1n[nH]c(c1)C1CC1
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)NCc1n[nH]c(c1)C1CC1)CC
• InChI: InChI=1S/C19H25N7O/c1-3-25(4-2)11-13-8-20-18-16(10-22-26(18)12-13)19(27)21-9-15-7-17(24-23-15)14-5-6-14/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H,21,27)(H,23,24)
• InChIKey: HBOFJLXBWHQIEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.59028
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.7090949
• LogD (pH = 7.4): 0.051430505
• Log P: 1.1157613
• Molar Refractivity: 115.9095 cm^3
• Polarizability: 38.93162 Å^3
• Polar Surface Area: 91.21 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.16
• LOG S: -3.72
• Polar Surface Area: 91.21 Å^2
• Rotatable Bonds: 8