2,2,2-trifluoro-N-pyrazol-1-ylacetamide

C5H4F3N3O — CID 87551020

IUPAC2,2,2-trifluoro-N-pyrazol-1-ylacetamide
SMILESO=C(Nn1cccn1)C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)4(12)10-11-3-1-2-9-11/h1-3H,(H,10,12)
InChIKeyPNXHENGLQYNXBL-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.52
Rot. Bonds1

About 2,2,2-trifluoro-N-pyrazol-1-ylacetamide

2,2,2-trifluoro-N-pyrazol-1-ylacetamide (PubChem CID 87551020) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-pyrazol-1-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-pyrazol-1-ylacetamide
PubChem CID87551020
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name2,2,2-trifluoro-N-pyrazol-1-ylacetamide
SMILESO=C(Nn1cccn1)C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)4(12)10-11-3-1-2-9-11/h1-3H,(H,10,12)
InChIKeyPNXHENGLQYNXBL-UHFFFAOYSA-N
XLogP0.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazol-2-ium;2,2,2-trifluoroacetate
CID 158811754
CID 171924695
CID 171924695
1-Ureidopyrazole
CID 19911942
N-pyrazol-1-ylpropanamide
CID 68996776
Pyrazole-semicarbazide
CID 141079323
N-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 90456060
1,1,1,3,3,3-hexafluoropropan-2-one;1H-pyrazole
CID 162542058
N-1H-pyrazol-1-ylformamide
CID 638906
N-1H-Pyrazol-1-ylacetamide
CID 21586934
Pyrazolylselanyl acetamide
CID 129883272
fluoroform;1H-pyrazole
CID 159553216
pyrazol-1-ylcarbamothioic S-acid
CID 21113983

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-pyrazol-1-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-pyrazol-1-ylacetamide (CID 87551020) is 2,2,2-trifluoro-N-pyrazol-1-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-pyrazol-1-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-pyrazol-1-ylacetamide is O=C(Nn1cccn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-pyrazol-1-ylacetamide?
The InChIKey is PNXHENGLQYNXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)4(12)10-11-3-1-2-9-11/h1-3H,(H,10,12).
What are the key properties of 2,2,2-trifluoro-N-pyrazol-1-ylacetamide?
2,2,2-trifluoro-N-pyrazol-1-ylacetamide has a molecular weight of 179.10 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-pyrazol-1-ylacetamide is sourced from PubChem (CID 87551020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).