5-cyclopropyl-N-(1-ethylpiperidin-4-yl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrazole-3-carboxamide

• ChemBase ID: 771818
• Molecular Formular: C21H29N5O
• Molecular Mass: 367.48786
• Monoisotopic Mass: 367.23721057
• SMILES: c1(C(=O)N(CCc2ncccc2)C2CCN(CC2)CC)n[nH]c(c1)C1CC1
• Canonical SMILES: CCN1CCC(CC1)N(C(=O)c1n[nH]c(c1)C1CC1)CCc1ccccn1
• InChI: InChI=1S/C21H29N5O/c1-2-25-12-9-18(10-13-25)26(14-8-17-5-3-4-11-22-17)21(27)20-15-19(23-24-20)16-6-7-16/h3-5,11,15-16,18H,2,6-10,12-14H2,1H3,(H,23,24)
• InChIKey: KXICJMWNZMTOGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-N-(1-ethylpiperidin-4-yl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrazole-3-carboxamide
• IUPAC Traditional name: 5-cyclopropyl-N-(1-ethylpiperidin-4-yl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrazole-3-carboxamide
• Synonyms: 5-cyclopropyl-N-(1-ethylpiperidin-4-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.252617
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2202184
• LogD (pH = 7.4): 0.54873204
• Log P: 1.6185855
• Molar Refractivity: 107.4209 cm^3
• Polarizability: 40.760944 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.21
• LOG S: -1.61
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 7