N-[1-(cyclopropylmethyl)-1H-pyrazol-5-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide

• ChemBase ID: 829457
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: c1(NC(=O)N2CC(CC2)COC)n(ncc1)CC1CC1
• Canonical SMILES: COCC1CCN(C1)C(=O)Nc1ccnn1CC1CC1
• InChI: InChI=1S/C14H22N4O2/c1-20-10-12-5-7-17(8-12)14(19)16-13-4-6-15-18(13)9-11-2-3-11/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,16,19)
• InChIKey: CYHNKFJYFGCIQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclopropylmethyl)-1H-pyrazol-5-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
• IUPAC Traditional name: N-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide
• Synonyms: N-[1-(cyclopropylmethyl)-1H-pyrazol-5-yl]-3-(methoxymethyl)pyrrolidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.237877
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6411999
• LogD (pH = 7.4): 0.6412646
• Log P: 0.64126605
• Molar Refractivity: 88.0835 cm^3
• Polarizability: 28.916368 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.29
• LOG S: -2.79
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5