N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide

C8H10F3N3O — CID 19571755

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCc1c(CNC(=O)C(F)(F)F)cnn1C
InChIInChI=1S/C8H10F3N3O/c1-5-6(4-13-14(5)2)3-12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15)
InChIKeyYTXISSZIHMTTEG-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.91
Rot. Bonds2

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 19571755) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID19571755
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCc1c(CNC(=O)C(F)(F)F)cnn1C
InChIInChI=1S/C8H10F3N3O/c1-5-6(4-13-14(5)2)3-12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15)
InChIKeyYTXISSZIHMTTEG-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide (CID 19571755) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide is Cc1c(CNC(=O)C(F)(F)F)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is YTXISSZIHMTTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-6(4-13-14(5)2)3-12-7(15)8(9,10)11/h4H,3H2,1-2H3,(H,12,15).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 221.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19571755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).