N-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-(pyridin-4-yl)-1H-pyrazole-5-carboxamide

• ChemBase ID: 442588
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: c1(cc(n[nH]1)c1ccncc1)C(=O)NC1(CN2CCOCC2)CCCC1
• Canonical SMILES: O=C(c1[nH]nc(c1)c1ccncc1)NC1(CCCC1)CN1CCOCC1
• InChI: InChI=1S/C19H25N5O2/c25-18(17-13-16(22-23-17)15-3-7-20-8-4-15)21-19(5-1-2-6-19)14-24-9-11-26-12-10-24/h3-4,7-8,13H,1-2,5-6,9-12,14H2,(H,21,25)(H,22,23)
• InChIKey: YJEZIYPSBYOCGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-(pyridin-4-yl)-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-[1-(morpholin-4-ylmethyl)cyclopentyl]-5-(pyridin-4-yl)-2H-pyrazole-3-carboxamide
• Synonyms: N-[1-(morpholin-4-ylmethyl)cyclopentyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.332529
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.19677046
• LogD (pH = 7.4): 1.0557559
• Log P: 1.1657652
• Molar Refractivity: 99.6017 cm^3
• Polarizability: 39.20433 Å^3
• Polar Surface Area: 83.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.16
• LOG S: -2.96
• Polar Surface Area: 83.14 Å^2
• Rotatable Bonds: 5