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

C11H13F3N4O2 — CID 75376451

IUPACN-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C11H13F3N4O2/c1-17(8-3-15-16-4-8)10(20)7-2-9(19)18(5-7)6-11(12,13)14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyGABHSTJVVYCIIK-UHFFFAOYSA-N
MW290.25 g/mol
LogP0.78
Rot. Bonds3

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

N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 75376451) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID75376451
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC NameN-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C11H13F3N4O2/c1-17(8-3-15-16-4-8)10(20)7-2-9(19)18(5-7)6-11(12,13)14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
InChIKeyGABHSTJVVYCIIK-UHFFFAOYSA-N
XLogP0.78
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 75376451) is N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CN(C(=O)C1CC(=O)N(CC(F)(F)F)C1)c1cn[nH]c1.
What is the InChIKey of N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is GABHSTJVVYCIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-17(8-3-15-16-4-8)10(20)7-2-9(19)18(5-7)6-11(12,13)14/h3-4,7H,2,5-6H2,1H3,(H,15,16).
What are the key properties of N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 75376451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).