N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C12H15F3N4O2 — CID 115610234

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1[nH]nc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)c1C
InChIInChI=1S/C12H15F3N4O2/c1-6-7(2)17-18-10(6)16-11(21)8-3-9(20)19(4-8)5-12(13,14)15/h8H,3-5H2,1-2H3,(H2,16,17,18,21)
InChIKeyVUEUXCWWPIXKHT-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.38
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 115610234) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID115610234
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1[nH]nc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)c1C
InChIInChI=1S/C12H15F3N4O2/c1-6-7(2)17-18-10(6)16-11(21)8-3-9(20)19(4-8)5-12(13,14)15/h8H,3-5H2,1-2H3,(H2,16,17,18,21)
InChIKeyVUEUXCWWPIXKHT-UHFFFAOYSA-N
XLogP1.38
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 115610234) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is Cc1[nH]nc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is VUEUXCWWPIXKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-6-7(2)17-18-10(6)16-11(21)8-3-9(20)19(4-8)5-12(13,14)15/h8H,3-5H2,1-2H3,(H2,16,17,18,21).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(4,5-dimethyl-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 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115610234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).