N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H17F3N4O — CID 78924247

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1c(C(C)NC(=O)CNCC(F)(F)F)cnn1C
InChIInChI=1S/C11H17F3N4O/c1-7(9-4-16-18(3)8(9)2)17-10(19)5-15-6-11(12,13)14/h4,7,15H,5-6H2,1-3H3,(H,17,19)
InChIKeyUBWBOMVUBFUHOX-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.06
Rot. Bonds5

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924247) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924247
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1c(C(C)NC(=O)CNCC(F)(F)F)cnn1C
InChIInChI=1S/C11H17F3N4O/c1-7(9-4-16-18(3)8(9)2)17-10(19)5-15-6-11(12,13)14/h4,7,15H,5-6H2,1-3H3,(H,17,19)
InChIKeyUBWBOMVUBFUHOX-UHFFFAOYSA-N
XLogP1.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-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-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924247) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1c(C(C)NC(=O)CNCC(F)(F)F)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is UBWBOMVUBFUHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-7(9-4-16-18(3)8(9)2)17-10(19)5-15-6-11(12,13)14/h4,7,15H,5-6H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).