N-[3-(dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 752549
• Molecular Formular: C19H21N7
• Molecular Mass: 347.41694
• Monoisotopic Mass: 347.18584371
• SMILES: n12c(nc(cc1NCCCn1nc(nc1C)C)c1ccccc1)ccn2
• Canonical SMILES: Cc1nn(c(n1)C)CCCNc1cc(nc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C19H21N7/c1-14-22-15(2)25(24-14)12-6-10-20-19-13-17(16-7-4-3-5-8-16)23-18-9-11-21-26(18)19/h3-5,7-9,11,13,20H,6,10,12H2,1-2H3
• InChIKey: GMWJPEAMAWRGMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[3-(dimethyl-1,2,4-triazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6071427
• LogD (pH = 7.4): 2.608123
• Log P: 2.6081355
• Molar Refractivity: 124.0819 cm^3
• Polarizability: 38.964302 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.24
• LOG S: -3.65
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6