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

C16H26F3N3O2 — CID 110002601

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)C(C)c1c(C)nn(CC(F)(F)F)c1C
InChIInChI=1S/C16H26F3N3O2/c1-6-15(5,7-8-23)20-14(24)10(2)13-11(3)21-22(12(13)4)9-16(17,18)19/h10,23H,6-9H2,1-5H3,(H,20,24)
InChIKeyUYKUEMHRAZFLBO-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.83
Rot. Bonds7

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

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide (PubChem CID 110002601) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
PubChem CID110002601
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)C(C)c1c(C)nn(CC(F)(F)F)c1C
InChIInChI=1S/C16H26F3N3O2/c1-6-15(5,7-8-23)20-14(24)10(2)13-11(3)21-22(12(13)4)9-16(17,18)19/h10,23H,6-9H2,1-5H3,(H,20,24)
InChIKeyUYKUEMHRAZFLBO-UHFFFAOYSA-N
XLogP2.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
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-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide (CID 110002601) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide is CCC(C)(CCO)NC(=O)C(C)c1c(C)nn(CC(F)(F)F)c1C.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The InChIKey is UYKUEMHRAZFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-6-15(5,7-8-23)20-14(24)10(2)13-11(3)21-22(12(13)4)9-16(17,18)19/h10,23H,6-9H2,1-5H3,(H,20,24).
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(1-hydroxy-3-methylpentan-3-yl)propanamide has a molecular weight of 349.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 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-(1-hydroxy-3-methylpentan-3-yl)propanamide is sourced from PubChem (CID 110002601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).