N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H17F3N4O — CID 112550394

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1nn(C)cc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-3-9-8(6-18(2)17-9)4-16-10(19)5-15-7-11(12,13)14/h6,15H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyWORWSMVTJKTOBL-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.75
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 112550394) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID112550394
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1nn(C)cc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-3-9-8(6-18(2)17-9)4-16-10(19)5-15-7-11(12,13)14/h6,15H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyWORWSMVTJKTOBL-UHFFFAOYSA-N
XLogP0.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 112550394) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is CCc1nn(C)cc1CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WORWSMVTJKTOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-9-8(6-18(2)17-9)4-16-10(19)5-15-7-11(12,13)14/h6,15H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 278.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 112550394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).