N-[3-(cyclohexyloxy)-2-hydroxypropyl]-3-ethyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 699314
• Molecular Formular: C15H25N3O3
• Molecular Mass: 295.3773
• Monoisotopic Mass: 295.18959168
• SMILES: c1([nH]nc(c1)CC)C(=O)NCC(COC1CCCCC1)O
• Canonical SMILES: CCc1cc([nH]n1)C(=O)NCC(COC1CCCCC1)O
• InChI: InChI=1S/C15H25N3O3/c1-2-11-8-14(18-17-11)15(20)16-9-12(19)10-21-13-6-4-3-5-7-13/h8,12-13,19H,2-7,9-10H2,1H3,(H,16,20)(H,17,18)
• InChIKey: OUSKRLQZTYARKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-3-ethyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-5-ethyl-2H-pyrazole-3-carboxamide
• Synonyms: N-[3-(cyclohexyloxy)-2-hydroxypropyl]-3-ethyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.81201
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.2254595
• LogD (pH = 7.4): 1.2239742
• Log P: 1.2256134
• Molar Refractivity: 80.8366 cm^3
• Polarizability: 30.775528 Å^3
• Polar Surface Area: 87.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.26
• LOG S: -2.43
• Polar Surface Area: 87.24 Å^2
• Rotatable Bonds: 7