N-[1-(cyclopropylmethyl)-1H-indazol-3-yl]-2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]acetamide

• ChemBase ID: 543455
• Molecular Formular: C20H19N5OS
• Molecular Mass: 377.46276
• Monoisotopic Mass: 377.13103125
• SMILES: c1(nn(c2c1cccc2)CC1CC1)NC(=O)Cn1nc(c2cscc2)cc1
• Canonical SMILES: O=C(Nc1nn(c2c1cccc2)CC1CC1)Cn1ccc(n1)c1cscc1
• InChI: InChI=1S/C20H19N5OS/c26-19(12-24-9-7-17(22-24)15-8-10-27-13-15)21-20-16-3-1-2-4-18(16)25(23-20)11-14-5-6-14/h1-4,7-10,13-14H,5-6,11-12H2,(H,21,23,26)
• InChIKey: CMWSUDGUAUAASC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclopropylmethyl)-1H-indazol-3-yl]-2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]acetamide
• IUPAC Traditional name: N-[1-(cyclopropylmethyl)indazol-3-yl]-2-[3-(thiophen-3-yl)pyrazol-1-yl]acetamide
• Synonyms: N-[1-(cyclopropylmethyl)-1H-indazol-3-yl]-2-[3-(3-thienyl)-1H-pyrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9486132
• LogD (pH = 7.4): 3.9486034
• Log P: 3.9486814
• Molar Refractivity: 128.6799 cm^3
• Polarizability: 42.09551 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 11.1278305

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.89
• LOG S: -5.28
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 6