2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C10H15F3N4O — CID 112705231

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(C)cc1CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-7-8(5-17(2)16-7)3-14-4-9(18)15-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyVDKAEQQLEPURBY-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.50
Rot. Bonds5

About 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112705231) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112705231
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1nn(C)cc1CNCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-7-8(5-17(2)16-7)3-14-4-9(18)15-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyVDKAEQQLEPURBY-UHFFFAOYSA-N
XLogP0.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 112669044
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989744
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 83089230
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115991357
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 109481950
N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 60957323
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 83082371

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 112705231) is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1nn(C)cc1CNCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VDKAEQQLEPURBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-7-8(5-17(2)16-7)3-14-4-9(18)15-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3,(H,15,18).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 264.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112705231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).