2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide

C12H14F3N5O2 — CID 19584491

IUPAC2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C12H14F3N5O2/c1-2-20-10(3-4-16-20)11(21)18-9-5-17-19(6-9)8-22-7-12(13,14)15/h3-6H,2,7-8H2,1H3,(H,18,21)
InChIKeyTZLFSZSUKMZBSL-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.89
Rot. Bonds6

About 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide

2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19584491) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19584491
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC Name2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C12H14F3N5O2/c1-2-20-10(3-4-16-20)11(21)18-9-5-17-19(6-9)8-22-7-12(13,14)15/h3-6H,2,7-8H2,1H3,(H,18,21)
InChIKeyTZLFSZSUKMZBSL-UHFFFAOYSA-N
XLogP1.89
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 19584491) is 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cnn(COCC(F)(F)F)c1.
What is the InChIKey of 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is TZLFSZSUKMZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-2-20-10(3-4-16-20)11(21)18-9-5-17-19(6-9)8-22-7-12(13,14)15/h3-6H,2,7-8H2,1H3,(H,18,21).
What are the key properties of 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19584491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).