N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H17F3N4O — CID 112688947

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CNCC(F)(F)F)n[nH]1
InChIInChI=1S/C11H17F3N4O/c1-10(2,3)7-4-8(18-17-7)16-9(19)5-15-6-11(12,13)14/h4,15H,5-6H2,1-3H3,(H2,16,17,18,19)
InChIKeyWXFUZQDGCOKRGZ-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.80
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 112688947) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID112688947
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CNCC(F)(F)F)n[nH]1
InChIInChI=1S/C11H17F3N4O/c1-10(2,3)7-4-8(18-17-7)16-9(19)5-15-6-11(12,13)14/h4,15H,5-6H2,1-3H3,(H2,16,17,18,19)
InChIKeyWXFUZQDGCOKRGZ-UHFFFAOYSA-N
XLogP1.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-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-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 112688947) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)(C)c1cc(NC(=O)CNCC(F)(F)F)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WXFUZQDGCOKRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-10(2,3)7-4-8(18-17-7)16-9(19)5-15-6-11(12,13)14/h4,15H,5-6H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 112688947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).