1-(prop-2-en-1-yl)-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperazine

• ChemBase ID: 399848
• Molecular Formular: C14H23N5
• Molecular Mass: 261.36592
• Monoisotopic Mass: 261.19534576
• SMILES: n1n2c(cc1CN1CCN(CC1)CC=C)CNCC2
• Canonical SMILES: C=CCN1CCN(CC1)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C14H23N5/c1-2-4-17-6-8-18(9-7-17)12-13-10-14-11-15-3-5-19(14)16-13/h2,10,15H,1,3-9,11-12H2
• InChIKey: RMYDNTRWTHMPSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-en-1-yl)-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperazine
• IUPAC Traditional name: 1-(prop-2-en-1-yl)-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperazine
• Synonyms: 2-[(4-allyl-1-piperazinyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.8112013
• LogD (pH = 7.4): -0.49266234
• Log P: 0.30916893
• Molar Refractivity: 89.3512 cm^3
• Polarizability: 30.192236 Å^3
• Polar Surface Area: 36.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.2
• LOG S: 0.58
• Polar Surface Area: 36.33 Å^2
• Rotatable Bonds: 4