1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide

C₂₃H₁₉F₂N₅O₂ — CID 50821188

About 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide

1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 50821188) has the molecular formula C₂₃H₁₉F₂N₅O₂ and a molecular weight of 435.43 g/mol. Its IUPAC name is 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide
• PubChem CID: 50821188
• Molecular Formula: C₂₃H₁₉F₂N₅O₂
• Molecular Weight: 435.43 g/mol
• Exact Mass: 435.15
• IUPAC Name: 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide
• SMILES: Cc1ccc(-c2noc(C3CC3)n2)cc1-n1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1
• InChI: InChI=1S/C23H19F2N5O2/c1-12-3-4-15(21-27-23(32-29-21)14-5-6-14)9-20(12)30-11-17(13(2)28-30)22(31)26-19-8-7-16(24)10-18(19)25/h3-4,7-11,14H,5-6H2,1-2H3,(H,26,31)
• InChIKey: OPMOHCZYEVARJT-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.43
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide?

The IUPAC name of 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide (CID 50821188) is 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide.

What is the SMILES notation for 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide?

The canonical SMILES for 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide is Cc1ccc(-c2noc(C3CC3)n2)cc1-n1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1.

What is the InChIKey of 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide?

The InChIKey is OPMOHCZYEVARJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-12-3-4-15(21-27-23(32-29-21)14-5-6-14)9-20(12)30-11-17(13(2)28-30)22(31)26-19-8-7-16(24)10-18(19)25/h3-4,7-11,14H,5-6H2,1-2H3,(H,26,31).

What are the key properties of 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide?

1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 50821188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 50821188 — identifiers, structure, computed properties (public domain)

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