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

C12H15F3N4O2 — CID 115593834

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)n[nH]1
InChIInChI=1S/C12H15F3N4O2/c1-2-8-4-9(18-17-8)16-11(21)7-3-10(20)19(5-7)6-12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H2,16,17,18,21)
InChIKeyHEXJVEWFFHEYBK-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.32
Rot. Bonds4

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

N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 115593834) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID115593834
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)n[nH]1
InChIInChI=1S/C12H15F3N4O2/c1-2-8-4-9(18-17-8)16-11(21)7-3-10(20)19(5-7)6-12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H2,16,17,18,21)
InChIKeyHEXJVEWFFHEYBK-UHFFFAOYSA-N
XLogP1.32
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 115593834) is N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCc1cc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is HEXJVEWFFHEYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-2-8-4-9(18-17-8)16-11(21)7-3-10(20)19(5-7)6-12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H2,16,17,18,21).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115593834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).