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

C9H13F3N4O — CID 103569820

IUPAC2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCn1cc(C(NCC(F)(F)F)C(N)=O)cn1
InChIInChI=1S/C9H13F3N4O/c1-2-16-4-6(3-15-16)7(8(13)17)14-5-9(10,11)12/h3-4,7,14H,2,5H2,1H3,(H2,13,17)
InChIKeyZTXRJNNCELKECQ-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.58
Rot. Bonds5

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

2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103569820) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103569820
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCn1cc(C(NCC(F)(F)F)C(N)=O)cn1
InChIInChI=1S/C9H13F3N4O/c1-2-16-4-6(3-15-16)7(8(13)17)14-5-9(10,11)12/h3-4,7,14H,2,5H2,1H3,(H2,13,17)
InChIKeyZTXRJNNCELKECQ-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one
CID 62349814
2-[2-(4-Methylpyrazol-1-yl)ethylamino]butanamide
CID 53618326
3-[2-(4-Methylpyrazol-1-yl)ethylamino]butanamide
CID 71924626
4-[1-(1-Propan-2-ylpyrazol-4-yl)ethylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 75515362
(2S)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95329675
N-[(2S)-3-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 95627539
tert-butyl N-methyl-N-[(1R)-1-(1-methylpyrazol-4-yl)-2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]carbamate
CID 99787124
2,2-Difluoro-2-(4-propan-2-ylpyrazol-1-yl)acetamide
CID 89630937
2-[4-[(Cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 141194072
2-[4-[(Propan-2-ylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 141194073
2-[4-(Aminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 141194078
2-[4-[(Dimethylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 141194083

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 103569820) is 2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CCn1cc(C(NCC(F)(F)F)C(N)=O)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ZTXRJNNCELKECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-2-16-4-6(3-15-16)7(8(13)17)14-5-9(10,11)12/h3-4,7,14H,2,5H2,1H3,(H2,13,17).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103569820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).