N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 419435
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: c1(n[nH]c2c1CCCC2)C(=O)N(CCn1nccc1)C
• Canonical SMILES: CN(C(=O)c1n[nH]c2c1CCCC2)CCn1cccn1
• InChI: InChI=1S/C14H19N5O/c1-18(9-10-19-8-4-7-15-19)14(20)13-11-5-2-3-6-12(11)16-17-13/h4,7-8H,2-3,5-6,9-10H2,1H3,(H,16,17)
• InChIKey: JJHZHBATMYFSDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[2-(pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• Synonyms: N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.973242
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4070647
• LogD (pH = 7.4): 1.4071995
• Log P: 1.4072014
• Molar Refractivity: 88.7513 cm^3
• Polarizability: 28.410742 Å^3
• Polar Surface Area: 66.81 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: 0.28
• LOG S: -2.74
• Polar Surface Area: 66.81 Å^2
• Rotatable Bonds: 4