N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

C6H6F3N3O — CID 86717284

IUPACN-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H6F3N3O/c1-3(13)10-5-2-4(11-12-5)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyRNVOJUGGWWGDAL-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.39
Rot. Bonds1

About N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide

N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (PubChem CID 86717284) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
PubChem CID86717284
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC NameN-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H6F3N3O/c1-3(13)10-5-2-4(11-12-5)6(7,8)9/h2H,1H3,(H2,10,11,12,13)
InChIKeyRNVOJUGGWWGDAL-UHFFFAOYSA-N
XLogP1.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide (CID 86717284) is N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is CC(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
The InChIKey is RNVOJUGGWWGDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-3(13)10-5-2-4(11-12-5)6(7,8)9/h2H,1H3,(H2,10,11,12,13).
What are the key properties of N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide?
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 193.13 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 86717284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).