N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methyl-1H-imidazol-1-yl)propanamide

• ChemBase ID: 402256
• Molecular Formular: C14H21N5O
• Molecular Mass: 275.34944
• Monoisotopic Mass: 275.17461032
• SMILES: c1(C(NC(=O)CCn2c(ncc2)C)C)c([nH]nc1C)C
• Canonical SMILES: O=C(NC(c1c(C)n[nH]c1C)C)CCn1ccnc1C
• InChI: InChI=1S/C14H21N5O/c1-9(14-10(2)17-18-11(14)3)16-13(20)5-7-19-8-6-15-12(19)4/h6,8-9H,5,7H2,1-4H3,(H,16,20)(H,17,18)
• InChIKey: IEWPMLRANIYWNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methyl-1H-imidazol-1-yl)propanamide
• IUPAC Traditional name: N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methylimidazol-1-yl)propanamide
• Synonyms: N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methyl-1H-imidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.817047
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.90577775
• LogD (pH = 7.4): -0.13433932
• Log P: 0.10940971
• Molar Refractivity: 78.3131 cm^3
• Polarizability: 29.257866 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.07
• LOG S: -2.58
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 5