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

C11H13F3N4O2 — CID 60973483

IUPACN-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)n[nH]1
InChIInChI=1S/C11H13F3N4O2/c1-6-2-8(17-16-6)15-10(20)7-3-9(19)18(4-7)5-11(12,13)14/h2,7H,3-5H2,1H3,(H2,15,16,17,20)
InChIKeyYWPCRESFLLSZED-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.07
Rot. Bonds3

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

N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 60973483) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID60973483
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)n[nH]1
InChIInChI=1S/C11H13F3N4O2/c1-6-2-8(17-16-6)15-10(20)7-3-9(19)18(4-7)5-11(12,13)14/h2,7H,3-5H2,1H3,(H2,15,16,17,20)
InChIKeyYWPCRESFLLSZED-UHFFFAOYSA-N
XLogP1.07
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 60973483) is N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is YWPCRESFLLSZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c1-6-2-8(17-16-6)15-10(20)7-3-9(19)18(4-7)5-11(12,13)14/h2,7H,3-5H2,1H3,(H2,15,16,17,20).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 60973483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).