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

• ChemBase ID: 608338
• Molecular Formular: C19H21N7
• Molecular Mass: 347.41694
• Monoisotopic Mass: 347.18584371
• SMILES: c12n(nc(c2C)C)c(cc(n1)c1ccccc1)NCCCn1nncc1
• Canonical SMILES: Cc1nn2c(c1C)nc(cc2NCCCn1ccnn1)c1ccccc1
• InChI: InChI=1S/C19H21N7/c1-14-15(2)23-26-18(20-9-6-11-25-12-10-21-24-25)13-17(22-19(14)26)16-7-4-3-5-8-16/h3-5,7-8,10,12-13,20H,6,9,11H2,1-2H3
• InChIKey: WRGWBTJEZCMURM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.8012908
• LogD (pH = 7.4): 2.8015702
• Log P: 2.8015738
• Molar Refractivity: 123.8324 cm^3
• Polarizability: 38.96716 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: 3.13
• LOG S: -4.41
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6