N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide

C7H8F3N3O — CID 59492320

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H8F3N3O/c1-4(14)11-6-3-5(7(8,9)10)12-13(6)2/h3H,1-2H3,(H,11,14)
InChIKeyZJMHRGYACFZVJM-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.40
Rot. Bonds1

About N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide

N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide (PubChem CID 59492320) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
PubChem CID59492320
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H8F3N3O/c1-4(14)11-6-3-5(7(8,9)10)12-13(6)2/h3H,1-2H3,(H,11,14)
InChIKeyZJMHRGYACFZVJM-UHFFFAOYSA-N
XLogP1.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide (CID 59492320) is N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide is CC(=O)Nc1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
The InChIKey is ZJMHRGYACFZVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4(14)11-6-3-5(7(8,9)10)12-13(6)2/h3H,1-2H3,(H,11,14).
What are the key properties of N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide?
N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide has a molecular weight of 207.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 59492320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).