N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C33H30F8N12O6S — CID 167598894

About N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167598894) has the molecular formula C33H30F8N12O6S and a molecular weight of 874.73 g/mol. Its IUPAC name is N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 167598894
• Molecular Formula: C33H30F8N12O6S
• Molecular Weight: 874.73 g/mol
• Exact Mass: 874.20
• IUPAC Name: N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: Cn1nc(C(F)(F)F)cc1C(=O)NC(CN)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)NC(CNS(C)(=O)=O)c1nc(-c2cccc(F)c2)no1
• InChI: InChI=1S/C17H16F4N6O4S.C16H14F4N6O2/c1-27-12(7-13(25-27)17(19,20)21)15(28)23-11(8-22-32(2,29)30)16-24-14(26-31-16)9-4-3-5-10(18)6-9;1-26-11(6-12(24-26)16(18,19)20)14(27)22-10(7-21)15-23-13(25-28-15)8-3-2-4-9(17)5-8/h3-7,11,22H,8H2,1-2H3,(H,23,28);2-6,10H,7,21H2,1H3,(H,22,27)
• InChIKey: JLMCIMIQMAAAJN-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 243.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.73
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 167598894) is N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC(CN)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)NC(CNS(C)(=O)=O)c1nc(-c2cccc(F)c2)no1.

What is the InChIKey of N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is JLMCIMIQMAAAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N6O4S.C16H14F4N6O2/c1-27-12(7-13(25-27)17(19,20)21)15(28)23-11(8-22-32(2,29)30)16-24-14(26-31-16)9-4-3-5-10(18)6-9;1-26-11(6-12(24-26)16(18,19)20)14(27)22-10(7-21)15-23-13(25-28-15)8-3-2-4-9(17)5-8/h3-7,11,22H,8H2,1-2H3,(H,23,28);2-6,10H,7,21H2,1H3,(H,22,27).

What are the key properties of N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?

N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 874.73 g/mol, XLogP of 3.71, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(methanesulfonamido)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167598894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).