2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C8H8F3N3O2 — CID 141194081

IUPAC2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)c1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-4(15)5-2-14(3-6(12)16)13-7(5)8(9,10)11/h2H,3H2,1H3,(H2,12,16)
InChIKeyBLXZGWXXTXSCHD-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.59
Rot. Bonds3

About 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 141194081) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID141194081
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(=O)c1cn(CC(N)=O)nc1C(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c1-4(15)5-2-14(3-6(12)16)13-7(5)8(9,10)11/h2H,3H2,1H3,(H2,12,16)
InChIKeyBLXZGWXXTXSCHD-UHFFFAOYSA-N
XLogP0.59
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 141194081) is 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(=O)c1cn(CC(N)=O)nc1C(F)(F)F.
What is the InChIKey of 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is BLXZGWXXTXSCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-4(15)5-2-14(3-6(12)16)13-7(5)8(9,10)11/h2H,3H2,1H3,(H2,12,16).
What are the key properties of 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 235.16 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-acetyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 141194081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).