N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H13F3N4O — CID 78958443

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1nccc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-16-7(2-3-15-16)4-14-8(17)5-13-6-9(10,11)12/h2-3,13H,4-6H2,1H3,(H,14,17)
InChIKeyLLOKEMSTTKVTCL-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.19
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958443) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958443
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1nccc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-16-7(2-3-15-16)4-14-8(17)5-13-6-9(10,11)12/h2-3,13H,4-6H2,1H3,(H,14,17)
InChIKeyLLOKEMSTTKVTCL-UHFFFAOYSA-N
XLogP0.19
TPSA58.95 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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958469
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 64678263
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958534
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 86979097
N-[(3-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958341
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210
N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342
2-(4-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63304660
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958443) is N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cn1nccc1CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LLOKEMSTTKVTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-16-7(2-3-15-16)4-14-8(17)5-13-6-9(10,11)12/h2-3,13H,4-6H2,1H3,(H,14,17).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.22 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).