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

C11H13F3N4O2 — CID 60976309

IUPAC5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)6-18-5-7(3-9(18)19)10(20)15-4-8-1-2-16-17-8/h1-2,7H,3-6H2,(H,15,20)(H,16,17)
InChIKeyCWJSBYLRKDXFMN-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.44
Rot. Bonds4

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

5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 60976309) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is 5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID60976309
Molecular FormulaC11H13F3N4O2
Molecular Weight290.24 g/mol
Exact Mass290.10
IUPAC Name5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)6-18-5-7(3-9(18)19)10(20)15-4-8-1-2-16-17-8/h1-2,7H,3-6H2,(H,15,20)(H,16,17)
InChIKeyCWJSBYLRKDXFMN-UHFFFAOYSA-N
XLogP0.44
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 60976309) is 5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccn[nH]1)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is CWJSBYLRKDXFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)6-18-5-7(3-9(18)19)10(20)15-4-8-1-2-16-17-8/h1-2,7H,3-6H2,(H,15,20)(H,16,17).
What are the key properties of 5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 60976309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).