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

C13H19F3N4O2 — CID 71980671

IUPAC3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)Nc2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C13H19F3N4O2/c1-2-22-8-10-3-4-19(6-10)12(21)18-11-5-17-20(7-11)9-13(14,15)16/h5,7,10H,2-4,6,8-9H2,1H3,(H,18,21)
InChIKeyNMWNRLJZQFKCOD-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.34
Rot. Bonds5

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

3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (PubChem CID 71980671) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
PubChem CID71980671
Molecular FormulaC13H19F3N4O2
Molecular Weight320.31 g/mol
Exact Mass320.15
IUPAC Name3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCCOCC1CCN(C(=O)Nc2cnn(CC(F)(F)F)c2)C1
InChIInChI=1S/C13H19F3N4O2/c1-2-22-8-10-3-4-19(6-10)12(21)18-11-5-17-20(7-11)9-13(14,15)16/h5,7,10H,2-4,6,8-9H2,1H3,(H,18,21)
InChIKeyNMWNRLJZQFKCOD-UHFFFAOYSA-N
XLogP2.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (CID 71980671) is 3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is CCOCC1CCN(C(=O)Nc2cnn(CC(F)(F)F)c2)C1.
What is the InChIKey of 3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is NMWNRLJZQFKCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-2-22-8-10-3-4-19(6-10)12(21)18-11-5-17-20(7-11)9-13(14,15)16/h5,7,10H,2-4,6,8-9H2,1H3,(H,18,21).
What are the key properties of 3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71980671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).