N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide

• ChemBase ID: 340127
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: c1(c2n(nc1)ccn2C)C(=O)N(Cc1n[nH]c(c1)C1CC1)C
• Canonical SMILES: CN(C(=O)c1cnn2c1n(C)cc2)Cc1n[nH]c(c1)C1CC1
• InChI: InChI=1S/C15H18N6O/c1-19-5-6-21-14(19)12(8-16-21)15(22)20(2)9-11-7-13(18-17-11)10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,17,18)
• InChIKey: ZGTKFVDPQLXQGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
• IUPAC Traditional name: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethylpyrazolo[1,5-a]imidazole-7-carboxamide
• Synonyms: N-[(5-cyclopropyl-1H-pyrazol-3-yl)methyl]-N,1-dimethyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.06792
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1166724
• LogD (pH = 7.4): 1.1167922
• Log P: 1.1167938
• Molar Refractivity: 93.644 cm^3
• Polarizability: 30.422161 Å^3
• Polar Surface Area: 71.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.55
• LOG S: -1.84
• Polar Surface Area: 71.22 Å^2
• Rotatable Bonds: 4