N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide

C11H16F3N3O2 — CID 2801297

IUPACN-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide
SMILESCn1nc(OCC(=O)NC(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-10(2,3)15-8(18)6-19-9-5-7(11(12,13)14)17(4)16-9/h5H,6H2,1-4H3,(H,15,18)
InChIKeyUCVHQCJDTMVYSF-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.73
Rot. Bonds3

About N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide

N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide (PubChem CID 2801297) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide
PubChem CID2801297
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide
SMILESCn1nc(OCC(=O)NC(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-10(2,3)15-8(18)6-19-9-5-7(11(12,13)14)17(4)16-9/h5H,6H2,1-4H3,(H,15,18)
InChIKeyUCVHQCJDTMVYSF-UHFFFAOYSA-N
XLogP1.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide (CID 2801297) is N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide is Cn1nc(OCC(=O)NC(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide?
The InChIKey is UCVHQCJDTMVYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-10(2,3)15-8(18)6-19-9-5-7(11(12,13)14)17(4)16-9/h5H,6H2,1-4H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide?
N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide has a molecular weight of 279.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide is sourced from PubChem (CID 2801297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).