N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide

C10H17N3O2 — CID 115753072

IUPACN-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide
SMILESCn1cc(OCC(=O)NC(C)(C)C)cn1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)12-9(14)7-15-8-5-11-13(4)6-8/h5-6H,7H2,1-4H3,(H,12,14)
InChIKeyCZHVBLDRHGUNKR-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds3

About N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide

N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide (PubChem CID 115753072) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide
PubChem CID115753072
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide
SMILESCn1cc(OCC(=O)NC(C)(C)C)cn1
InChIInChI=1S/C10H17N3O2/c1-10(2,3)12-9(14)7-15-8-5-11-13(4)6-8/h5-6H,7H2,1-4H3,(H,12,14)
InChIKeyCZHVBLDRHGUNKR-UHFFFAOYSA-N
XLogP0.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.71
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-methylpyrazol-4-yl)oxyacetamide?
The IUPAC name of N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide (CID 115753072) is N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide?
The canonical SMILES for N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide is Cn1cc(OCC(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide?
The InChIKey is CZHVBLDRHGUNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)12-9(14)7-15-8-5-11-13(4)6-8/h5-6H,7H2,1-4H3,(H,12,14).
What are the key properties of N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide?
N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide has a molecular weight of 211.26 g/mol, XLogP of 0.71, 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-methylpyrazol-4-yl)oxyacetamide is sourced from PubChem (CID 115753072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).