N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylbenzoyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 713297
• Molecular Formular: C19H24FN5O2
• Molecular Mass: 373.4245632
• Monoisotopic Mass: 373.19140325
• SMILES: c1(nn2c(c1)CN(C(=O)c1cc(c(cc1)F)C)CC2)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1cc2n(n1)CCN(C2)C(=O)c1ccc(c(c1)C)F)C
• InChI: InChI=1S/C19H24FN5O2/c1-13-10-14(4-5-16(13)20)19(27)24-8-9-25-15(12-24)11-17(22-25)18(26)21-6-7-23(2)3/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,26)
• InChIKey: MNMFEPJHQLMUKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylbenzoyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylbenzoyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-[2-(dimethylamino)ethyl]-5-(4-fluoro-3-methylbenzoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.0444
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5807688
• LogD (pH = 7.4): 0.16781497
• Log P: 1.3069822
• Molar Refractivity: 113.2341 cm^3
• Polarizability: 37.574688 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.54
• LOG S: -3.24
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 5