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

C7H9F3N4O — CID 78942344

IUPACN-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccn[nH]1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-11-3-6(15)13-5-1-2-12-14-5/h1-2,11H,3-4H2,(H2,12,13,14,15)
InChIKeyGWJWKOKQWBHKHL-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.50
Rot. Bonds4

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

N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78942344) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78942344
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC NameN-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1ccn[nH]1
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)4-11-3-6(15)13-5-1-2-12-14-5/h1-2,11H,3-4H2,(H2,12,13,14,15)
InChIKeyGWJWKOKQWBHKHL-UHFFFAOYSA-N
XLogP0.50
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.50
H-Bond Donors ≤ 53
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-trifluoroethylamino)acetamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78942344) is N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1ccn[nH]1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is GWJWKOKQWBHKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)4-11-3-6(15)13-5-1-2-12-14-5/h1-2,11H,3-4H2,(H2,12,13,14,15).
What are the key properties of N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 222.17 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 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-trifluoroethylamino)acetamide is sourced from PubChem (CID 78942344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).