N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

C12H15F3N4O2 — CID 71830415

IUPACN-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N4O2/c1-2-16-11(21)8-3-10(20)19(5-8)9-4-17-18(6-9)7-12(13,14)15/h4,6,8H,2-3,5,7H2,1H3,(H,16,21)
InChIKeyGCPYBLQBMYSLKT-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.93
Rot. Bonds4

About N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 71830415) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID71830415
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C12H15F3N4O2/c1-2-16-11(21)8-3-10(20)19(5-8)9-4-17-18(6-9)7-12(13,14)15/h4,6,8H,2-3,5,7H2,1H3,(H,16,21)
InChIKeyGCPYBLQBMYSLKT-UHFFFAOYSA-N
XLogP0.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 71830415) is N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is CCNC(=O)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1.
What is the InChIKey of N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is GCPYBLQBMYSLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-2-16-11(21)8-3-10(20)19(5-8)9-4-17-18(6-9)7-12(13,14)15/h4,6,8H,2-3,5,7H2,1H3,(H,16,21).
What are the key properties of N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 71830415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).