N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide

C12H21N3O — CID 59820670

IUPACN-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(C)c(C(C)(C)C)nn1C
InChIInChI=1S/C12H21N3O/c1-8-10(12(3,4)5)13-15(7)11(8)14(6)9(2)16/h1-7H3
InChIKeyREYYTGBUQJGKHN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.01
Rot. Bonds1

About N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide

N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide (PubChem CID 59820670) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide
PubChem CID59820670
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(C)c(C(C)(C)C)nn1C
InChIInChI=1S/C12H21N3O/c1-8-10(12(3,4)5)13-15(7)11(8)14(6)9(2)16/h1-7H3
InChIKeyREYYTGBUQJGKHN-UHFFFAOYSA-N
XLogP2.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide?
The IUPAC name of N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide (CID 59820670) is N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide?
The canonical SMILES for N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide is CC(=O)N(C)c1c(C)c(C(C)(C)C)nn1C.
What is the InChIKey of N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide?
The InChIKey is REYYTGBUQJGKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-10(12(3,4)5)13-15(7)11(8)14(6)9(2)16/h1-7H3.
What are the key properties of N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide?
N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide has a molecular weight of 223.32 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,4-dimethylpyrazol-5-yl)-N-methylacetamide is sourced from PubChem (CID 59820670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).