3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide

C16H14F3N5O2 — CID 167186052

About 3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide

3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 167186052) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
• PubChem CID: 167186052
• Molecular Formula: C16H14F3N5O2
• Molecular Weight: 365.32 g/mol
• Exact Mass: 365.11
• IUPAC Name: 3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
• SMILES: C[C@H](NC(=O)c1cc(C(F)F)nn1C)c1nc(-c2cccc(F)c2)no1
• InChI: InChI=1S/C16H14F3N5O2/c1-8(20-15(25)12-7-11(13(18)19)22-24(12)2)16-21-14(23-26-16)9-4-3-5-10(17)6-9/h3-8,13H,1-2H3,(H,20,25)/t8-/m0/s1
• InChIKey: SGOQEXBDLHKVIG-QMMMGPOBSA-N
• XLogP: 3.04
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.32
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide (CID 167186052) is 3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide.

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

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

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

The InChIKey is SGOQEXBDLHKVIG-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-8(20-15(25)12-7-11(13(18)19)22-24(12)2)16-21-14(23-26-16)9-4-3-5-10(17)6-9/h3-8,13H,1-2H3,(H,20,25)/t8-/m0/s1.

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

3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 167186052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).