1-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole

• ChemBase ID: 723348
• Molecular Formular: C16H21N7
• Molecular Mass: 311.38484
• Monoisotopic Mass: 311.18584371
• SMILES: c1(c2n(C(c3n(ncc3)C)CC)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: CCC(n1ccnc1c1nn2c(c1)CNCC2)c1ccnn1C
• InChI: InChI=1S/C16H21N7/c1-3-14(15-4-5-19-21(15)2)22-8-7-18-16(22)13-10-12-11-17-6-9-23(12)20-13/h4-5,7-8,10,14,17H,3,6,9,11H2,1-2H3
• InChIKey: FTTVJFPGQOOSGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole
• IUPAC Traditional name: 1-[1-(2-methylpyrazol-3-yl)propyl]-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazole
• Synonyms: 2-{1-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1335436
• LogD (pH = 7.4): 0.6671894
• Log P: 1.2351892
• Molar Refractivity: 121.0353 cm^3
• Polarizability: 34.070602 Å^3
• Polar Surface Area: 65.49 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: -1.0
• LOG S: -0.92
• Polar Surface Area: 65.49 Å^2
• Rotatable Bonds: 4