{[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(methyl)(pyrazin-2-ylmethyl)amine

• ChemBase ID: 600742
• Molecular Formular: C23H29N5
• Molecular Mass: 375.50986
• Monoisotopic Mass: 375.24229595
• SMILES: c1(c(nn(c1)C)c1ccc(cc1)C1CCCCC1)CN(Cc1nccnc1)C
• Canonical SMILES: CN(Cc1cn(nc1c1ccc(cc1)C1CCCCC1)C)Cc1cnccn1
• InChI: InChI=1S/C23H29N5/c1-27(17-22-14-24-12-13-25-22)15-21-16-28(2)26-23(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-14,16,18H,3-7,15,17H2,1-2H3
• InChIKey: AXKXIMQYDPCQLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(methyl)(pyrazin-2-ylmethyl)amine
• IUPAC Traditional name: {[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl}(methyl)(pyrazin-2-ylmethyl)amine
• Synonyms: 1-[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(2-pyrazinylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6843097
• LogD (pH = 7.4): 3.7902634
• Log P: 3.8611677
• Molar Refractivity: 124.2365 cm^3
• Polarizability: 44.989693 Å^3
• Polar Surface Area: 46.84 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: 3.82
• LOG S: -4.62
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6