1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide

C18H19F3N4O3 — CID 71808048

IUPAC1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCCn3ccc(C(F)(F)F)n3)CC2=O)c1
InChIInChI=1S/C18H19F3N4O3/c1-28-14-4-2-3-13(10-14)25-11-12(9-16(25)26)17(27)22-6-8-24-7-5-15(23-24)18(19,20)21/h2-5,7,10,12H,6,8-9,11H2,1H3,(H,22,27)
InChIKeyGPETVXKJOAGNNK-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.08
Rot. Bonds6

About 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 71808048) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide
PubChem CID71808048
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCCn3ccc(C(F)(F)F)n3)CC2=O)c1
InChIInChI=1S/C18H19F3N4O3/c1-28-14-4-2-3-13(10-14)25-11-12(9-16(25)26)17(27)22-6-8-24-7-5-15(23-24)18(19,20)21/h2-5,7,10,12H,6,8-9,11H2,1H3,(H,22,27)
InChIKeyGPETVXKJOAGNNK-UHFFFAOYSA-N
XLogP2.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide (CID 71808048) is 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCCn3ccc(C(F)(F)F)n3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is GPETVXKJOAGNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c1-28-14-4-2-3-13(10-14)25-11-12(9-16(25)26)17(27)22-6-8-24-7-5-15(23-24)18(19,20)21/h2-5,7,10,12H,6,8-9,11H2,1H3,(H,22,27).
What are the key properties of 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71808048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).