N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide

C8H10F3N3O — CID 70967723

IUPACN-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C(F)(F)F)nn(C)c1C
InChIInChI=1S/C8H10F3N3O/c1-4-6(12-5(2)15)7(8(9,10)11)13-14(4)3/h1-3H3,(H,12,15)
InChIKeyJLVQFNBJFFHJPJ-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.71
Rot. Bonds1

About N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide

N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (PubChem CID 70967723) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
PubChem CID70967723
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C(F)(F)F)nn(C)c1C
InChIInChI=1S/C8H10F3N3O/c1-4-6(12-5(2)15)7(8(9,10)11)13-14(4)3/h1-3H3,(H,12,15)
InChIKeyJLVQFNBJFFHJPJ-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (CID 70967723) is N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is CC(=O)Nc1c(C(F)(F)F)nn(C)c1C.
What is the InChIKey of N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The InChIKey is JLVQFNBJFFHJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4-6(12-5(2)15)7(8(9,10)11)13-14(4)3/h1-3H3,(H,12,15).
What are the key properties of N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide has a molecular weight of 221.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 70967723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).