N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide

C8H10F3N3O — CID 103910064

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide
SMILESCCc1nn(C)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-3-5-6(4-14(2)13-5)12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15)
InChIKeyWNNVPYDVDWXGQV-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.48
Rot. Bonds2

About N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide

N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 103910064) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide
PubChem CID103910064
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide
SMILESCCc1nn(C)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-3-5-6(4-14(2)13-5)12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15)
InChIKeyWNNVPYDVDWXGQV-UHFFFAOYSA-N
XLogP1.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide (CID 103910064) is N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide is CCc1nn(C)cc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is WNNVPYDVDWXGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-3-5-6(4-14(2)13-5)12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 221.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103910064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).