5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

C13H17F3N4O2 — CID 91945628

IUPAC5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C13H17F3N4O2/c1-2-3-17-12(22)9-4-11(21)20(6-9)10-5-18-19(7-10)8-13(14,15)16/h5,7,9H,2-4,6,8H2,1H3,(H,17,22)
InChIKeySSVUYZZQVGOIPR-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.32
Rot. Bonds5

About 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 91945628) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID91945628
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C13H17F3N4O2/c1-2-3-17-12(22)9-4-11(21)20(6-9)10-5-18-19(7-10)8-13(14,15)16/h5,7,9H,2-4,6,8H2,1H3,(H,17,22)
InChIKeySSVUYZZQVGOIPR-UHFFFAOYSA-N
XLogP1.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 91945628) is 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is CCCNC(=O)C1CC(=O)N(c2cnn(CC(F)(F)F)c2)C1.
What is the InChIKey of 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is SSVUYZZQVGOIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-2-3-17-12(22)9-4-11(21)20(6-9)10-5-18-19(7-10)8-13(14,15)16/h5,7,9H,2-4,6,8H2,1H3,(H,17,22).
What are the key properties of 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 318.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propyl-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91945628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).