2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide

C5H4F3N3O — CID 61394305

IUPAC2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Nc1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)4(12)10-3-1-2-9-11-3/h1-2H,(H2,9,10,11,12)
InChIKeyQMUCNZKTJRDUHX-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.91
Rot. Bonds1

About 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide

2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide (PubChem CID 61394305) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide
PubChem CID61394305
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide
SMILESO=C(Nc1ccn[nH]1)C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)4(12)10-3-1-2-9-11-3/h1-2H,(H2,9,10,11,12)
InChIKeyQMUCNZKTJRDUHX-UHFFFAOYSA-N
XLogP0.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2H-Pyrazol-3-YL)formamide
CID 328397
3-Acetylaminopyrazole
CID 2777527
N-(1H-pyrazol-3-yl)but-2-ynamide hydrochloride
CID 155820323
Carboxyaminopyrazole
CID 17974160
N-1H-Pyrazol-5-ylurea
CID 22464195
2-chloro-N-(1H-pyrazol-3-yl)acetamide
CID 53983407
N-(4-Bromo-1H-pyrazol-3-yl)acetamide
CID 57418483
Diacetylaminopyrazole
CID 129816627
4,4,4-Trifluoro-3-oxo-N-1H-pyrazol-3-ylbutanamide
CID 13359223
2,2,2-Trifluoro-N-(1-methyl-3-pyrazolyl)acetamide
CID 19405082
1-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)guanidine
CID 20202792
N-(1-Ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 57698727

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide (CID 61394305) is 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide is O=C(Nc1ccn[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide?
The InChIKey is QMUCNZKTJRDUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)4(12)10-3-1-2-9-11-3/h1-2H,(H2,9,10,11,12).
What are the key properties of 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide?
2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide has a molecular weight of 179.10 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 61394305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).