2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C13H13F3N4O — CID 60998789

IUPAC2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)8-18-11(12(17)21)9-6-19-20(7-9)10-4-2-1-3-5-10/h1-7,11,18H,8H2,(H2,17,21)
InChIKeyHOFGWHCLBFQULX-UHFFFAOYSA-N
MW298.27 g/mol
LogP1.55
Rot. Bonds5

About 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 60998789) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID60998789
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)8-18-11(12(17)21)9-6-19-20(7-9)10-4-2-1-3-5-10/h1-7,11,18H,8H2,(H2,17,21)
InChIKeyHOFGWHCLBFQULX-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60998462
2-(2-methoxyethylamino)-2-(1-phenylpyrazol-4-yl)acetamide
CID 62541695
2-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60998173
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
2-hydroxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanamide
CID 106171896
2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
2,2-difluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 62398863
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
3,3,3-trifluoro-2-(1-phenylpyrazol-4-yl)propan-1-amine
CID 82534378
2-(2-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 116684979
2-(cyclopropylamino)-2-(1-phenylpyrazol-4-yl)acetic acid
CID 43754555
2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43248561

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 60998789) is 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is NC(=O)C(NCC(F)(F)F)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HOFGWHCLBFQULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)8-18-11(12(17)21)9-6-19-20(7-9)10-4-2-1-3-5-10/h1-7,11,18H,8H2,(H2,17,21).
What are the key properties of 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 298.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 60998789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).