N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide

C7H8F3N3O — CID 90456060

IUPACN-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)n1cccn1
InChIInChI=1S/C7H8F3N3O/c1-6(14)12(5-7(8,9)10)13-4-2-3-11-13/h2-4H,5H2,1H3
InChIKeyCXFJBCRXNGIJMC-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.93
Rot. Bonds2

About N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide

N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 90456060) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID90456060
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)N(CC(F)(F)F)n1cccn1
InChIInChI=1S/C7H8F3N3O/c1-6(14)12(5-7(8,9)10)13-4-2-3-11-13/h2-4H,5H2,1H3
InChIKeyCXFJBCRXNGIJMC-UHFFFAOYSA-N
XLogP0.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3,4,4-Trifluoro-1-pyrazol-1-ylbut-3-en-1-one
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2,2,2-trifluoro-N-pyrazol-1-ylacetamide
CID 87551020
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2,2,2-Trifluoro-1-(1H-pyrazol-1-yl)ethanone
CID 3454080
3,3,3-Trifluoro-1-pyrazol-1-ylpropan-1-one
CID 154255508
N-acetyl-N-pyrazol-1-ylacetamide
CID 20453871
1-Pyrazol-1-ylpyrazin-2-one
CID 68865480
N-prop-2-enyl-N-pyrazol-1-ylformamide
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Frequently Asked Questions

What is the IUPAC name of N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 90456060) is N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(=O)N(CC(F)(F)F)n1cccn1.
What is the InChIKey of N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CXFJBCRXNGIJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-6(14)12(5-7(8,9)10)13-4-2-3-11-13/h2-4H,5H2,1H3.
What are the key properties of N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 207.16 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 90456060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).