N-methyl-N-[1-(pyrazin-2-yl)propan-2-yl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide

• ChemBase ID: 472677
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(n[nH]c2c1CCC2)C(=O)N(C(Cc1nccnc1)C)C
• Canonical SMILES: CC(N(C(=O)c1n[nH]c2c1CCC2)C)Cc1cnccn1
• InChI: InChI=1S/C15H19N5O/c1-10(8-11-9-16-6-7-17-11)20(2)15(21)14-12-4-3-5-13(12)18-19-14/h6-7,9-10H,3-5,8H2,1-2H3,(H,18,19)
• InChIKey: IPHYNSQUCLZUSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(pyrazin-2-yl)propan-2-yl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[1-(pyrazin-2-yl)propan-2-yl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• Synonyms: N-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.947674
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7572314
• LogD (pH = 7.4): 0.75723946
• Log P: 0.7572397
• Molar Refractivity: 80.0527 cm^3
• Polarizability: 29.803196 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.5
• LOG S: -2.16
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4