N-[1-(4-methyl-1H-imidazol-2-yl)propyl]-3-propyl-1H-pyrazole-5-carboxamide

• ChemBase ID: 631198
• Molecular Formular: C14H21N5O
• Molecular Mass: 275.34944
• Monoisotopic Mass: 275.17461032
• SMILES: c1([nH]nc(c1)CCC)C(=O)NC(c1nc(c[nH]1)C)CC
• Canonical SMILES: CCCc1n[nH]c(c1)C(=O)NC(c1[nH]cc(n1)C)CC
• InChI: InChI=1S/C14H21N5O/c1-4-6-10-7-12(19-18-10)14(20)17-11(5-2)13-15-8-9(3)16-13/h7-8,11H,4-6H2,1-3H3,(H,15,16)(H,17,20)(H,18,19)
• InChIKey: RQXYTIRPLVGRCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-methyl-1H-imidazol-2-yl)propyl]-3-propyl-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-[1-(4-methyl-1H-imidazol-2-yl)propyl]-5-propyl-2H-pyrazole-3-carboxamide
• Synonyms: N-[1-(4-methyl-1H-imidazol-2-yl)propyl]-3-propyl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.78737
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.86967057
• LogD (pH = 7.4): 1.4319233
• Log P: 1.4500483
• Molar Refractivity: 77.9212 cm^3
• Polarizability: 29.133255 Å^3
• Polar Surface Area: 86.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 0.84
• LOG S: -1.93
• Polar Surface Area: 86.46 Å^2
• Rotatable Bonds: 6