N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H9F3N4O2 — CID 103208296

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCn1cc(C#N)c(NC(=O)COCC(F)(F)F)n1
InChIInChI=1S/C9H9F3N4O2/c1-16-3-6(2-13)8(15-16)14-7(17)4-18-5-9(10,11)12/h3H,4-5H2,1H3,(H,14,15,17)
InChIKeyQCJRNKSOAKAFEU-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.81
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103208296) has the molecular formula C9H9F3N4O2 and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103208296
Molecular FormulaC9H9F3N4O2
Molecular Weight262.19 g/mol
Exact Mass262.07
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCn1cc(C#N)c(NC(=O)COCC(F)(F)F)n1
InChIInChI=1S/C9H9F3N4O2/c1-16-3-6(2-13)8(15-16)14-7(17)4-18-5-9(10,11)12/h3H,4-5H2,1H3,(H,14,15,17)
InChIKeyQCJRNKSOAKAFEU-UHFFFAOYSA-N
XLogP0.81
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103208296) is N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is Cn1cc(C#N)c(NC(=O)COCC(F)(F)F)n1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is QCJRNKSOAKAFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2/c1-16-3-6(2-13)8(15-16)14-7(17)4-18-5-9(10,11)12/h3H,4-5H2,1H3,(H,14,15,17).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 262.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103208296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).