1-(3-methoxypropyl)-4-[1-methyl-3-(trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperazine

• ChemBase ID: 530828
• Molecular Formular: C19H30N6O2
• Molecular Mass: 374.4805
• Monoisotopic Mass: 374.24302423
• SMILES: c1(cc(c2c(nn(c2C)C)C)nn1C)C(=O)N1CCN(CC1)CCCOC
• Canonical SMILES: COCCCN1CCN(CC1)C(=O)c1cc(nn1C)c1c(C)nn(c1C)C
• InChI: InChI=1S/C19H30N6O2/c1-14-18(15(2)22(3)20-14)16-13-17(23(4)21-16)19(26)25-10-8-24(9-11-25)7-6-12-27-5/h13H,6-12H2,1-5H3
• InChIKey: IJQRLRONWSZYQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxypropyl)-4-[1-methyl-3-(trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperazine
• IUPAC Traditional name: 1-(3-methoxypropyl)-4-[2-methyl-5-(trimethylpyrazol-4-yl)pyrazole-3-carbonyl]piperazine
• Synonyms: 5-{[4-(3-methoxypropyl)piperazin-1-yl]carbonyl}-1,1',3',5'-tetramethyl-1H,1'H-3,4'-bipyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.4346248
• LogD (pH = 7.4): 0.057535235
• Log P: 0.27107048
• Molar Refractivity: 129.0785 cm^3
• Polarizability: 41.012905 Å^3
• Polar Surface Area: 68.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.7
• LOG S: -2.64
• Polar Surface Area: 68.42 Å^2
• Rotatable Bonds: 6