5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C24H23F3N4O3 — CID 55853989

IUPAC5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H23F3N4O3/c25-24(26,27)19-5-1-4-17(12-19)15-30-16-18(13-22(30)32)23(33)29-20-6-2-7-21(14-20)34-11-10-31-9-3-8-28-31/h1-9,12,14,18H,10-11,13,15-16H2,(H,29,33)
InChIKeyXDRCFGJGWCPYNC-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.97
Rot. Bonds8

About 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 55853989) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID55853989
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C24H23F3N4O3/c25-24(26,27)19-5-1-4-17(12-19)15-30-16-18(13-22(30)32)23(33)29-20-6-2-7-21(14-20)34-11-10-31-9-3-8-28-31/h1-9,12,14,18H,10-11,13,15-16H2,(H,29,33)
InChIKeyXDRCFGJGWCPYNC-UHFFFAOYSA-N
XLogP3.97
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55743073
N-[4-(2-methoxyethoxy)phenyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55763241
N-(3-ethynylphenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46485210
1-(2,4-difluorophenyl)-5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-3-carboxamide
CID 55853844
5-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55757382
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46491839
1-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55757120
N-(2-iodophenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738631
5-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55756656
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119627320
(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 92627923

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 55853989) is 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is O=C(Nc1cccc(OCCn2cccn2)c1)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is XDRCFGJGWCPYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c25-24(26,27)19-5-1-4-17(12-19)15-30-16-18(13-22(30)32)23(33)29-20-6-2-7-21(14-20)34-11-10-31-9-3-8-28-31/h1-9,12,14,18H,10-11,13,15-16H2,(H,29,33).
What are the key properties of 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55853989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).