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

C10H11F3N4O2 — CID 60580002

IUPAC5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)5-17-4-6(3-8(17)18)9(19)15-7-1-2-14-16-7/h1-2,6H,3-5H2,(H2,14,15,16,19)
InChIKeyJIWQRSUSMGPDNF-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.76
Rot. Bonds3

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

5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 60580002) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID60580002
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)5-17-4-6(3-8(17)18)9(19)15-7-1-2-14-16-7/h1-2,6H,3-5H2,(H2,14,15,16,19)
InChIKeyJIWQRSUSMGPDNF-UHFFFAOYSA-N
XLogP0.76
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.76
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-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 60580002) is 5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccn[nH]1)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is JIWQRSUSMGPDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)5-17-4-6(3-8(17)18)9(19)15-7-1-2-14-16-7/h1-2,6H,3-5H2,(H2,14,15,16,19).
What are the key properties of 5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
5-oxo-N-(1H-pyrazol-5-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 276.22 g/mol, XLogP of 0.76, 3 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-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 60580002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).