N-(3-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide

• ChemBase ID: 845377
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(nn2c(c1)CN(C(=O)Nc1cc(ccc1)CC)CC2)C(=O)N1CCCC1
• Canonical SMILES: CCc1cccc(c1)NC(=O)N1CCn2c(C1)cc(n2)C(=O)N1CCCC1
• InChI: InChI=1S/C20H25N5O2/c1-2-15-6-5-7-16(12-15)21-20(27)24-10-11-25-17(14-24)13-18(22-25)19(26)23-8-3-4-9-23/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,21,27)
• InChIKey: YHPWDKNEXOZQKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• IUPAC Traditional name: N-(3-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• Synonyms: N-(3-ethylphenyl)-2-(pyrrolidin-1-ylcarbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.369852
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2732015
• LogD (pH = 7.4): 2.273202
• Log P: 2.2732024
• Molar Refractivity: 116.4986 cm^3
• Polarizability: 38.79876 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.29
• LOG S: -2.98
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 3