2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C15H24F3N3O2 — CID 86783533

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H24F3N3O2/c1-9(13(22)20(6)7-14(4,5)23)12-10(2)19-21(11(12)3)8-15(16,17)18/h9,23H,7-8H2,1-6H3
InChIKeyXMSFUIANVNWMGG-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.40
Rot. Bonds5

About 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 86783533) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID86783533
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H24F3N3O2/c1-9(13(22)20(6)7-14(4,5)23)12-10(2)19-21(11(12)3)8-15(16,17)18/h9,23H,7-8H2,1-6H3
InChIKeyXMSFUIANVNWMGG-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 86783533) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is XMSFUIANVNWMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O2/c1-9(13(22)20(6)7-14(4,5)23)12-10(2)19-21(11(12)3)8-15(16,17)18/h9,23H,7-8H2,1-6H3.
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 335.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 86783533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).