3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite

C55H57F4N15O6S — CID 167584367

About 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite

3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite (PubChem CID 167584367) has the molecular formula C55H57F4N15O6S and a molecular weight of 1132.22 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite
• PubChem CID: 167584367
• Molecular Formula: C55H57F4N15O6S
• Molecular Weight: 1132.22 g/mol
• Exact Mass: 1131.43
• IUPAC Name: 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite
• SMILES: CC(NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1.CSF.C[C@@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1.C[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1
• InChI: InChI=1S/3C18H18FN5O2.CH3FS/c3*1-10(18-21-16(23-26-18)12-4-3-5-13(19)8-12)20-17(25)15-9-14(11-6-7-11)22-24(15)2;1-3-2/h3*3-5,8-11H,6-7H2,1-2H3,(H,20,25);1H3/t2*10-;;/m10../s1
• InChIKey: HOZRSSKJLKZNHL-URVPKTFKSA-N
• XLogP: 10.17
• TPSA: 257.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1132.22
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite?

The IUPAC name of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite (CID 167584367) is 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite.

What is the SMILES notation for 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite?

The canonical SMILES for 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite is CC(NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1.CSF.C[C@@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1.C[C@H](NC(=O)c1cc(C2CC2)nn1C)c1nc(-c2cccc(F)c2)no1.

What is the InChIKey of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite?

The InChIKey is HOZRSSKJLKZNHL-URVPKTFKSA-N. The full InChI is InChI=1S/3C18H18FN5O2.CH3FS/c3*1-10(18-21-16(23-26-18)12-4-3-5-13(19)8-12)20-17(25)15-9-14(11-6-7-11)22-24(15)2;1-3-2/h3*3-5,8-11H,6-7H2,1-2H3,(H,20,25);1H3/t2*10-;;/m10../s1.

What are the key properties of 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite?

3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite has a molecular weight of 1132.22 g/mol, XLogP of 10.17, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide;methyl thiohypofluorite is sourced from PubChem (CID 167584367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).