2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O — CID 82702213

IUPAC2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nn(CC(=O)NCC(F)(F)F)c(CC)c1N
InChIInChI=1S/C11H17F3N4O/c1-3-7-10(15)8(4-2)18(17-7)5-9(19)16-6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,19)
InChIKeyBCBXNKGAQMUPRR-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.27
Rot. Bonds5

About 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 82702213) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID82702213
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCc1nn(CC(=O)NCC(F)(F)F)c(CC)c1N
InChIInChI=1S/C11H17F3N4O/c1-3-7-10(15)8(4-2)18(17-7)5-9(19)16-6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,19)
InChIKeyBCBXNKGAQMUPRR-UHFFFAOYSA-N
XLogP1.27
TPSA72.94 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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)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 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 82702213) is 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CCc1nn(CC(=O)NCC(F)(F)F)c(CC)c1N.
What is the InChIKey of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BCBXNKGAQMUPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-7-10(15)8(4-2)18(17-7)5-9(19)16-6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-diethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 82702213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).