N-cyclopropyl-3-[5-(5-ethylthiophene-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

• ChemBase ID: 388961
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: c12n(nc(c1)CCC(=O)NC1CC1)CCN(C(=O)c1sc(cc1)CC)C2
• Canonical SMILES: CCc1ccc(s1)C(=O)N1CCn2c(C1)cc(n2)CCC(=O)NC1CC1
• InChI: InChI=1S/C19H24N4O2S/c1-2-16-6-7-17(26-16)19(25)22-9-10-23-15(12-22)11-14(21-23)5-8-18(24)20-13-3-4-13/h6-7,11,13H,2-5,8-10,12H2,1H3,(H,20,24)
• InChIKey: XOIAFPIVJBQGIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[5-(5-ethylthiophene-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[5-(5-ethylthiophene-2-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-cyclopropyl-3-{5-[(5-ethyl-2-thienyl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.097875
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0138414
• LogD (pH = 7.4): 2.0138888
• Log P: 2.0138893
• Molar Refractivity: 112.2394 cm^3
• Polarizability: 38.197945 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.5
• LOG S: -2.34
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 6