1-[(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidin-2-yl)methyl]-1H-pyrazole

• ChemBase ID: 709347
• Molecular Formular: C15H20N6O
• Molecular Mass: 300.3589
• Monoisotopic Mass: 300.16985929
• SMILES: c1(nn2c(c1)CNCC2)C(=O)N1C(Cn2nccc2)CCC1
• Canonical SMILES: O=C(N1CCCC1Cn1cccn1)c1nn2c(c1)CNCC2
• InChI: InChI=1S/C15H20N6O/c22-15(14-9-13-10-16-5-8-21(13)18-14)20-7-1-3-12(20)11-19-6-2-4-17-19/h2,4,6,9,12,16H,1,3,5,7-8,10-11H2
• InChIKey: ZZMXSIJJCXRMNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidin-2-yl)methyl]-1H-pyrazole
• IUPAC Traditional name: 1-[(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}pyrrolidin-2-yl)methyl]pyrazole
• Synonyms: 2-{[2-(1H-pyrazol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6216795
• LogD (pH = 7.4): -0.13035494
• Log P: 0.0869191
• Molar Refractivity: 104.8213 cm^3
• Polarizability: 31.12673 Å^3
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.58
• LOG S: -2.21
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 3