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

C7H8F3N3O2 — CID 86861831

IUPACN-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccn[nH]1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-15-3-6(14)12-5-1-2-11-13-5/h1-2H,3-4H2,(H2,11,12,13,14)
InChIKeyULWSACLEYRNBDZ-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.93
Rot. Bonds4

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

N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86861831) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86861831
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC NameN-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ccn[nH]1
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-15-3-6(14)12-5-1-2-11-13-5/h1-2H,3-4H2,(H2,11,12,13,14)
InChIKeyULWSACLEYRNBDZ-UHFFFAOYSA-N
XLogP0.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86861831) is N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ULWSACLEYRNBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)4-15-3-6(14)12-5-1-2-11-13-5/h1-2H,3-4H2,(H2,11,12,13,14).
What are the key properties of N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 223.15 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86861831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).