1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide

C19H23F3N4O3 — CID 70776276

About 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide

1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 70776276) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide
• PubChem CID: 70776276
• Molecular Formula: C19H23F3N4O3
• Molecular Weight: 412.41 g/mol
• Exact Mass: 412.17
• IUPAC Name: 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide
• SMILES: CCN1CC(C(=O)Nc2nn(CC(F)(F)F)c3cc(OC(C)C)ccc23)CC1=O
• InChI: InChI=1S/C19H23F3N4O3/c1-4-25-9-12(7-16(25)27)18(28)23-17-14-6-5-13(29-11(2)3)8-15(14)26(24-17)10-19(20,21)22/h5-6,8,11-12H,4,7,9-10H2,1-3H3,(H,23,24,28)
• InChIKey: PWRODEPYHSPVDN-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.41
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide (CID 70776276) is 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide is CCN1CC(C(=O)Nc2nn(CC(F)(F)F)c3cc(OC(C)C)ccc23)CC1=O.

What is the InChIKey of 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide?

The InChIKey is PWRODEPYHSPVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c1-4-25-9-12(7-16(25)27)18(28)23-17-14-6-5-13(29-11(2)3)8-15(14)26(24-17)10-19(20,21)22/h5-6,8,11-12H,4,7,9-10H2,1-3H3,(H,23,24,28).

What are the key properties of 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide?

1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-5-oxo-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 70776276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).