(3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide

C23H25F3N4O4 — CID 162563463

About (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 162563463) has the molecular formula C23H25F3N4O4 and a molecular weight of 478.47 g/mol. Its IUPAC name is (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 162563463
• Molecular Formula: C23H25F3N4O4
• Molecular Weight: 478.47 g/mol
• Exact Mass: 478.18
• IUPAC Name: (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide
• SMILES: CC1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(CCC2=CCOCC2)n1
• InChI: InChI=1S/C23H25F3N4O4/c1-14-18(13-27-21(14)31)22(32)28-20-12-19(16-3-2-4-17(11-16)34-23(24,25)26)30(29-20)8-5-15-6-9-33-10-7-15/h2-4,6,11-12,14,18H,5,7-10,13H2,1H3,(H,27,31)(H,28,29,32)/t14?,18-/m0/s1
• InChIKey: XTBODNHCXBOJEV-IBYPIGCZSA-N
• XLogP: 3.51
• TPSA: 94.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.47
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide (CID 162563463) is (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is CC1C(=O)NC[C@@H]1C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(CCC2=CCOCC2)n1.

What is the InChIKey of (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?

The InChIKey is XTBODNHCXBOJEV-IBYPIGCZSA-N. The full InChI is InChI=1S/C23H25F3N4O4/c1-14-18(13-27-21(14)31)22(32)28-20-12-19(16-3-2-4-17(11-16)34-23(24,25)26)30(29-20)8-5-15-6-9-33-10-7-15/h2-4,6,11-12,14,18H,5,7-10,13H2,1H3,(H,27,31)(H,28,29,32)/t14?,18-/m0/s1.

What are the key properties of (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide?

(3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 478.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]-4-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 162563463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).