2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C7H8F3N3O — CID 720035

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(N)=O
InChIInChI=1S/C7H8F3N3O/c1-4-2-5(7(8,9)10)12-13(4)3-6(11)14/h2H,3H2,1H3,(H2,11,14)
InChIKeyDGWANHAGZHOXSS-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.70
Rot. Bonds2

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 720035) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID720035
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(N)=O
InChIInChI=1S/C7H8F3N3O/c1-4-2-5(7(8,9)10)12-13(4)3-6(11)14/h2H,3H2,1H3,(H2,11,14)
InChIKeyDGWANHAGZHOXSS-UHFFFAOYSA-N
XLogP0.70
TPSA60.91 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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 720035) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(N)=O.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DGWANHAGZHOXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4-2-5(7(8,9)10)12-13(4)3-6(11)14/h2H,3H2,1H3,(H2,11,14).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 207.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 720035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).