N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 852073
• Molecular Formular: C18H24N6O
• Molecular Mass: 340.42276
• Monoisotopic Mass: 340.20115942
• SMILES: c12n(nc(c1C(=O)NCC(n1nc(cc1C)C)C)C)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(C(=O)NCC(n1nc(cc1C)C)C)c(n2)C
• InChI: InChI=1S/C18H24N6O/c1-10-7-13(4)24-17(20-10)16(15(6)22-24)18(25)19-9-14(5)23-12(3)8-11(2)21-23/h7-8,14H,9H2,1-6H3,(H,19,25)
• InChIKey: MXWCTXWVNOAJJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.873353
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1638366
• LogD (pH = 7.4): 1.1666409
• Log P: 1.1666781
• Molar Refractivity: 119.2338 cm^3
• Polarizability: 35.984604 Å^3
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.0
• LOG S: -4.24
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 4