N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C7H8F3N3O — CID 19530990

IUPACN-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-11-6(14)4-13-3-2-5(12-13)7(8,9)10/h2-3H,4H2,1H3,(H,11,14)
InChIKeyWSMFRSWUBHMXSX-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.65
Rot. Bonds2

About N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530990) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530990
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H8F3N3O/c1-11-6(14)4-13-3-2-5(12-13)7(8,9)10/h2-3H,4H2,1H3,(H,11,14)
InChIKeyWSMFRSWUBHMXSX-UHFFFAOYSA-N
XLogP0.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530990) is N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is WSMFRSWUBHMXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-11-6(14)4-13-3-2-5(12-13)7(8,9)10/h2-3H,4H2,1H3,(H,11,14).
What are the key properties of N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 207.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).