N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H21F3N4O — CID 99815969

IUPACN-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)N(CCN(C)C)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-10(2)20(8-7-18(3)4)12(21)9-19-6-5-11(17-19)13(14,15)16/h5-6,10H,7-9H2,1-4H3
InChIKeyZCSSSJCIFPDFBO-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.70
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 99815969) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID99815969
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)N(CCN(C)C)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H21F3N4O/c1-10(2)20(8-7-18(3)4)12(21)9-19-6-5-11(17-19)13(14,15)16/h5-6,10H,7-9H2,1-4H3
InChIKeyZCSSSJCIFPDFBO-UHFFFAOYSA-N
XLogP1.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]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-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 99815969) is N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)N(CCN(C)C)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZCSSSJCIFPDFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-10(2)20(8-7-18(3)4)12(21)9-19-6-5-11(17-19)13(14,15)16/h5-6,10H,7-9H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 306.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 99815969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).