2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide

C12H22N4O — CID 43647654

IUPAC2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1nc(C)c(CNC)c1C
InChIInChI=1S/C12H22N4O/c1-6-15(5)12(17)8-16-10(3)11(7-13-4)9(2)14-16/h13H,6-8H2,1-5H3
InChIKeyXJGXDEWWPJGHLE-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.70
Rot. Bonds5

About 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide

2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 43647654) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
PubChem CID43647654
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1nc(C)c(CNC)c1C
InChIInChI=1S/C12H22N4O/c1-6-15(5)12(17)8-16-10(3)11(7-13-4)9(2)14-16/h13H,6-8H2,1-5H3
InChIKeyXJGXDEWWPJGHLE-UHFFFAOYSA-N
XLogP0.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide (CID 43647654) is 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1nc(C)c(CNC)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is XJGXDEWWPJGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-15(5)12(17)8-16-10(3)11(7-13-4)9(2)14-16/h13H,6-8H2,1-5H3.
What are the key properties of 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide?
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 238.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43647654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).