methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate

C10H17N3O2 — CID 28611484

IUPACmethyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
SMILESCOC(=O)CNCc1c(C)nn(C)c1C
InChIInChI=1S/C10H17N3O2/c1-7-9(8(2)13(3)12-7)5-11-6-10(14)15-4/h11H,5-6H2,1-4H3
InChIKeyOYQGEVWGDXHLHZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.30
Rot. Bonds4

About methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate

methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate (PubChem CID 28611484) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
PubChem CID28611484
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
SMILESCOC(=O)CNCc1c(C)nn(C)c1C
InChIInChI=1S/C10H17N3O2/c1-7-9(8(2)13(3)12-7)5-11-6-10(14)15-4/h11H,5-6H2,1-4H3
InChIKeyOYQGEVWGDXHLHZ-UHFFFAOYSA-N
XLogP0.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate (CID 28611484) is methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate is COC(=O)CNCc1c(C)nn(C)c1C.
What is the InChIKey of methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate?
The InChIKey is OYQGEVWGDXHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-9(8(2)13(3)12-7)5-11-6-10(14)15-4/h11H,5-6H2,1-4H3.
What are the key properties of methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate?
methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate has a molecular weight of 211.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate is sourced from PubChem (CID 28611484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).