benzyl[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl](1,3-thiazol-2-ylmethyl)amine

• ChemBase ID: 315377
• Molecular Formular: C19H24N4S
• Molecular Mass: 340.48566
• Monoisotopic Mass: 340.17216779
• SMILES: c1(c(n(nc1)CCC)C)CN(Cc1nccs1)Cc1ccccc1
• Canonical SMILES: CCCn1ncc(c1C)CN(Cc1nccs1)Cc1ccccc1
• InChI: InChI=1S/C19H24N4S/c1-3-10-23-16(2)18(12-21-23)14-22(15-19-20-9-11-24-19)13-17-7-5-4-6-8-17/h4-9,11-12H,3,10,13-15H2,1-2H3
• InChIKey: KPZONGDMQWKMSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl](1,3-thiazol-2-ylmethyl)amine
• IUPAC Traditional name: benzyl[(5-methyl-1-propylpyrazol-4-yl)methyl](1,3-thiazol-2-ylmethyl)amine
• Synonyms: N-benzyl-1-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.824011
• LogD (pH = 7.4): 3.5757396
• Log P: 3.6022997
• Molar Refractivity: 111.687 cm^3
• Polarizability: 38.352398 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.38
• LOG S: -3.56
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 8