2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide

C15H23F3N4O2 — CID 75436467

IUPAC2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)NC(C)(C)C(=O)N(C)C
InChIInChI=1S/C15H23F3N4O2/c1-9-11(10(2)22(20-9)8-15(16,17)18)7-12(23)19-14(3,4)13(24)21(5)6/h7-8H2,1-6H3,(H,19,23)
InChIKeyWTGYIUAZNIKNGE-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.59
Rot. Bonds5

About 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide

2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide (PubChem CID 75436467) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide
PubChem CID75436467
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1CC(=O)NC(C)(C)C(=O)N(C)C
InChIInChI=1S/C15H23F3N4O2/c1-9-11(10(2)22(20-9)8-15(16,17)18)7-12(23)19-14(3,4)13(24)21(5)6/h7-8H2,1-6H3,(H,19,23)
InChIKeyWTGYIUAZNIKNGE-UHFFFAOYSA-N
XLogP1.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide?
The IUPAC name of 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide (CID 75436467) is 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide.
What is the SMILES notation for 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide?
The canonical SMILES for 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide is Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NC(C)(C)C(=O)N(C)C.
What is the InChIKey of 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide?
The InChIKey is WTGYIUAZNIKNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-9-11(10(2)22(20-9)8-15(16,17)18)7-12(23)19-14(3,4)13(24)21(5)6/h7-8H2,1-6H3,(H,19,23).
What are the key properties of 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide?
2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide has a molecular weight of 348.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-N,N,2-trimethylpropanamide is sourced from PubChem (CID 75436467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).