N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane

C54H50F12N18O7 — CID 167601715

About N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane

N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane (PubChem CID 167601715) has the molecular formula C54H50F12N18O7 and a molecular weight of 1291.09 g/mol. Its IUPAC name is N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane.

Molecular Properties

• Compound Name: N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
• PubChem CID: 167601715
• Molecular Formula: C54H50F12N18O7
• Molecular Weight: 1291.09 g/mol
• Exact Mass: 1290.39
• IUPAC Name: N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
• SMILES: C.C.C.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(N)=O)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](CC#N)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](CC#N)c1nc(-c2cccc(F)c2)no1
• InChI: InChI=1S/C17H14F4N6O3.2C17H12F4N6O2.3CH4/c1-27-11(7-12(25-27)17(19,20)21)15(29)23-10(6-13(22)28)16-24-14(26-30-16)8-3-2-4-9(18)5-8;2*1-27-12(8-13(25-27)17(19,20)21)15(28)23-11(5-6-22)16-24-14(26-29-16)9-3-2-4-10(18)7-9;;;/h2-5,7,10H,6H2,1H3,(H2,22,28)(H,23,29);2*2-4,7-8,11H,5H2,1H3,(H,23,28);3*1H4/t;2*11-;;;/m.10.../s1
• InChIKey: JVCQMAGIJJTMAK-GPJCXWOWSA-N
• XLogP: 9.91
• TPSA: 348.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1291.09
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane (CID 167601715) is N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane.

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

The canonical SMILES for N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane is C.C.C.Cn1nc(C(F)(F)F)cc1C(=O)NC(CC(N)=O)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@@H](CC#N)c1nc(-c2cccc(F)c2)no1.Cn1nc(C(F)(F)F)cc1C(=O)N[C@H](CC#N)c1nc(-c2cccc(F)c2)no1.

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

The InChIKey is JVCQMAGIJJTMAK-GPJCXWOWSA-N. The full InChI is InChI=1S/C17H14F4N6O3.2C17H12F4N6O2.3CH4/c1-27-11(7-12(25-27)17(19,20)21)15(29)23-10(6-13(22)28)16-24-14(26-30-16)8-3-2-4-9(18)5-8;2*1-27-12(8-13(25-27)17(19,20)21)15(28)23-11(5-6-22)16-24-14(26-29-16)9-3-2-4-10(18)7-9;;;/h2-5,7,10H,6H2,1H3,(H2,22,28)(H,23,29);2*2-4,7-8,11H,5H2,1H3,(H,23,28);3*1H4/t;2*11-;;;/m.10.../s1.

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

N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane has a molecular weight of 1291.09 g/mol, XLogP of 9.91, 16 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-oxopropyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1R)-2-cyano-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane is sourced from PubChem (CID 167601715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).