2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide

C12H14F3N5O2 — CID 19584509

IUPAC2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
SMILESCc1ccnn1CC(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C12H14F3N5O2/c1-9-2-3-16-20(9)6-11(21)18-10-4-17-19(5-10)8-22-7-12(13,14)15/h2-5H,6-8H2,1H3,(H,18,21)
InChIKeyWYSFVOHCYROHMU-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.56
Rot. Bonds6

About 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide

2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide (PubChem CID 19584509) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
PubChem CID19584509
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC Name2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
SMILESCc1ccnn1CC(=O)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C12H14F3N5O2/c1-9-2-3-16-20(9)6-11(21)18-10-4-17-19(5-10)8-22-7-12(13,14)15/h2-5H,6-8H2,1H3,(H,18,21)
InChIKeyWYSFVOHCYROHMU-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide (CID 19584509) is 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide is Cc1ccnn1CC(=O)Nc1cnn(COCC(F)(F)F)c1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide?
The InChIKey is WYSFVOHCYROHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O2/c1-9-2-3-16-20(9)6-11(21)18-10-4-17-19(5-10)8-22-7-12(13,14)15/h2-5H,6-8H2,1H3,(H,18,21).
What are the key properties of 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide?
2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide has a molecular weight of 317.27 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 19584509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).