N-cyclopropyl-5-[2-(phenylformamido)acetyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 727623
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: c1(nn2c(c1)CN(C(=O)CNC(=O)c1ccccc1)CC2)C(=O)NC1CC1
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)C(=O)NC1CC1)CNC(=O)c1ccccc1
• InChI: InChI=1S/C19H21N5O3/c25-17(11-20-18(26)13-4-2-1-3-5-13)23-8-9-24-15(12-23)10-16(22-24)19(27)21-14-6-7-14/h1-5,10,14H,6-9,11-12H2,(H,20,26)(H,21,27)
• InChIKey: BOXFEOVJSNMTIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[2-(phenylformamido)acetyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[2-(phenylformamido)acetyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(benzoylamino)acetyl]-N-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.100336
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.007505435
• LogD (pH = 7.4): -0.0075045098
• Log P: -0.0075044204
• Molar Refractivity: 109.9721 cm^3
• Polarizability: 36.94799 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.09
• LOG S: -3.11
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 5