5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide

C21H17F3N4O3 — CID 162540510

IUPAC5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)31-16-8-4-5-13(9-16)17-11-18(26-20(30)14-10-19(29)25-12-14)27-28(17)15-6-2-1-3-7-15/h1-9,11,14H,10,12H2,(H,25,29)(H,26,27,30)
InChIKeyCDTMFSSRDAJQQI-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.51
Rot. Bonds5

About 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide

5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 162540510) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID162540510
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)31-16-8-4-5-13(9-16)17-11-18(26-20(30)14-10-19(29)25-12-14)27-28(17)15-6-2-1-3-7-15/h1-9,11,14H,10,12H2,(H,25,29)(H,26,27,30)
InChIKeyCDTMFSSRDAJQQI-UHFFFAOYSA-N
XLogP3.51
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 162540510) is 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)CN1.
What is the InChIKey of 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is CDTMFSSRDAJQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)31-16-8-4-5-13(9-16)17-11-18(26-20(30)14-10-19(29)25-12-14)27-28(17)15-6-2-1-3-7-15/h1-9,11,14H,10,12H2,(H,25,29)(H,26,27,30).
What are the key properties of 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide?
5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[1-phenyl-5-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 162540510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).