N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide

C11H19N3O — CID 47014180

IUPACN-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8-6-9(2)14(13-8)7-10(15)12-11(3,4)5/h6H,7H2,1-5H3,(H,12,15)
InChIKeyGIHYCWFAYAQEBS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.41
Rot. Bonds2

About N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 47014180) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID47014180
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C11H19N3O/c1-8-6-9(2)14(13-8)7-10(15)12-11(3,4)5/h6H,7H2,1-5H3,(H,12,15)
InChIKeyGIHYCWFAYAQEBS-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 47014180) is N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is GIHYCWFAYAQEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-6-9(2)14(13-8)7-10(15)12-11(3,4)5/h6H,7H2,1-5H3,(H,12,15).
What are the key properties of N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 47014180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).