3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-N-[3-(1H-1,2,3-triazol-1-yl)propyl]propanamide

• ChemBase ID: 459192
• Molecular Formular: C14H21N7O
• Molecular Mass: 303.36284
• Monoisotopic Mass: 303.18075833
• SMILES: n12nc(cc1CNCC2)CCC(=O)NCCCn1nncc1
• Canonical SMILES: O=C(CCc1nn2c(c1)CNCC2)NCCCn1nncc1
• InChI: InChI=1S/C14H21N7O/c22-14(16-4-1-7-20-8-6-17-19-20)3-2-12-10-13-11-15-5-9-21(13)18-12/h6,8,10,15H,1-5,7,9,11H2,(H,16,22)
• InChIKey: FANSDAQSWFZKBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.265932
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.122779
• LogD (pH = 7.4): -1.4489511
• Log P: -1.010438
• Molar Refractivity: 104.5364 cm^3
• Polarizability: 31.195253 Å^3
• Polar Surface Area: 89.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.91
• LOG S: -1.09
• Polar Surface Area: 89.66 Å^2
• Rotatable Bonds: 7