N-cyclopropyl-5-[3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbonyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 319193
• Molecular Formular: C19H20N6O3
• Molecular Mass: 380.4005
• Monoisotopic Mass: 380.15968853
• SMILES: c1(cc(n[nH]1)c1oc(cc1)C)C(=O)N1Cc2n(nc(c2)C(=O)NC2CC2)CC1
• Canonical SMILES: Cc1ccc(o1)c1n[nH]c(c1)C(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C19H20N6O3/c1-11-2-5-17(28-11)14-9-16(22-21-14)19(27)24-6-7-25-13(10-24)8-15(23-25)18(26)20-12-3-4-12/h2,5,8-9,12H,3-4,6-7,10H2,1H3,(H,20,26)(H,21,22)
• InChIKey: AUSZJXBKLCVQBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbonyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[5-(5-methylfuran-2-yl)-2H-pyrazole-3-carbonyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-{[3-(5-methyl-2-furyl)-1H-pyrazol-5-yl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 109.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 8.659039
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6145516
• LogD (pH = 7.4): 0.59214824
• Log P: 0.6148476
• Molar Refractivity: 113.0383 cm^3
• Polarizability: 38.45191 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 109.05 Å^2
• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 2
• Log P: 1.49
• LOG S: -3.24