N-cyclopropyl-1-(1-ethyl-5-methyl-1H-pyrazole-3-carbonyl)piperazine-2-carboxamide

• ChemBase ID: 314348
• Molecular Formular: C15H23N5O2
• Molecular Mass: 305.37542
• Monoisotopic Mass: 305.185175
• SMILES: c1(nn(c(c1)C)CC)C(=O)N1C(C(=O)NC2CC2)CNCC1
• Canonical SMILES: CCn1nc(cc1C)C(=O)N1CCNCC1C(=O)NC1CC1
• InChI: InChI=1S/C15H23N5O2/c1-3-20-10(2)8-12(18-20)15(22)19-7-6-16-9-13(19)14(21)17-11-4-5-11/h8,11,13,16H,3-7,9H2,1-2H3,(H,17,21)
• InChIKey: CQEJVICAXBMSKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-(1-ethyl-5-methyl-1H-pyrazole-3-carbonyl)piperazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazine-2-carboxamide
• Synonyms: N-cyclopropyl-1-[(1-ethyl-5-methyl-1H-pyrazol-3-yl)carbonyl]-2-piperazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.05404
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8941581
• LogD (pH = 7.4): -0.48870125
• Log P: -0.32237288
• Molar Refractivity: 93.8749 cm^3
• Polarizability: 31.400484 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -2.09
• LOG S: -0.95
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4