6-[(diethylamino)methyl]-N-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 605138
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: c12c(C(=O)Nc3ccc(cc3)CO)cnn1cc(cn2)CN(CC)CC
• Canonical SMILES: CCN(Cc1cnc2n(c1)ncc2C(=O)Nc1ccc(cc1)CO)CC
• InChI: InChI=1S/C19H23N5O2/c1-3-23(4-2)11-15-9-20-18-17(10-21-24(18)12-15)19(26)22-16-7-5-14(13-25)6-8-16/h5-10,12,25H,3-4,11,13H2,1-2H3,(H,22,26)
• InChIKey: FOBJGMAYEUSZRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(diethylamino)methyl]-N-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-[(diethylamino)methyl]-N-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 6-[(diethylamino)methyl]-N-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.7015085
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.1920513
• LogD (pH = 7.4): 0.56836057
• Log P: 1.6325203
• Molar Refractivity: 114.1629 cm^3
• Polarizability: 38.194508 Å^3
• Polar Surface Area: 82.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.41
• LOG S: -2.74
• Polar Surface Area: 82.76 Å^2
• Rotatable Bonds: 7