1-ethyl-N-(3-methoxypropyl)-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide

• ChemBase ID: 313472
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: c1(c(nn(c1C)CC)C)C(=O)N(Cc1ccc(cc1)C)CCCOC
• Canonical SMILES: COCCCN(C(=O)c1c(C)nn(c1C)CC)Cc1ccc(cc1)C
• InChI: InChI=1S/C20H29N3O2/c1-6-23-17(4)19(16(3)21-23)20(24)22(12-7-13-25-5)14-18-10-8-15(2)9-11-18/h8-11H,6-7,12-14H2,1-5H3
• InChIKey: JWJGKXSIFXMOLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-(3-methoxypropyl)-3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
• IUPAC Traditional name: 1-ethyl-N-(3-methoxypropyl)-3,5-dimethyl-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
• Synonyms: 1-ethyl-N-(3-methoxypropyl)-3,5-dimethyl-N-(4-methylbenzyl)-1H-pyrazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6372616
• LogD (pH = 7.4): 2.6377108
• Log P: 2.6377165
• Molar Refractivity: 113.8857 cm^3
• Polarizability: 38.356094 Å^3
• Polar Surface Area: 47.36 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: 2.72
• LOG S: -4.03
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 8