N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide

C20H25F6N3O — CID 172633522

About N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide

N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide (PubChem CID 172633522) has the molecular formula C20H25F6N3O and a molecular weight of 437.43 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide.

Molecular Properties

• Compound Name: N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
• PubChem CID: 172633522
• Molecular Formula: C20H25F6N3O
• Molecular Weight: 437.43 g/mol
• Exact Mass: 437.19
• IUPAC Name: N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
• SMILES: Cn1nc(NC(=O)C[C@@H]2CC(F)(F)C2(F)F)c(C2CCC2)c1C1CCC(F)(F)CC1
• InChI: InChI=1S/C20H25F6N3O/c1-29-16(12-5-7-18(21,22)8-6-12)15(11-3-2-4-11)17(28-29)27-14(30)9-13-10-19(23,24)20(13,25)26/h11-13H,2-10H2,1H3,(H,27,28,30)/t13-/m1/s1
• InChIKey: HCONTOWFTKKGNE-CYBMUJFWSA-N
• XLogP: 5.60
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.43
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?

The IUPAC name of N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide (CID 172633522) is N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide.

What is the SMILES notation for N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?

The canonical SMILES for N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide is Cn1nc(NC(=O)C[C@@H]2CC(F)(F)C2(F)F)c(C2CCC2)c1C1CCC(F)(F)CC1.

What is the InChIKey of N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?

The InChIKey is HCONTOWFTKKGNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25F6N3O/c1-29-16(12-5-7-18(21,22)8-6-12)15(11-3-2-4-11)17(28-29)27-14(30)9-13-10-19(23,24)20(13,25)26/h11-13H,2-10H2,1H3,(H,27,28,30)/t13-/m1/s1.

What are the key properties of N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?

N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide has a molecular weight of 437.43 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-cyclobutyl-5-(4,4-difluorocyclohexyl)-1-methylpyrazol-3-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide is sourced from PubChem (CID 172633522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).