ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate

C10H17N3O2 — CID 83088889

IUPACethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cn(C)nc1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)6-11-5-9-7-13(3)12-8(9)2/h7,11H,4-6H2,1-3H3
InChIKeyRTFXKKIQVMOOKA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.38
Rot. Bonds5

About ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate

ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate (PubChem CID 83088889) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
PubChem CID83088889
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
SMILESCCOC(=O)CNCc1cn(C)nc1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)6-11-5-9-7-13(3)12-8(9)2/h7,11H,4-6H2,1-3H3
InChIKeyRTFXKKIQVMOOKA-UHFFFAOYSA-N
XLogP0.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate?
The IUPAC name of ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate (CID 83088889) is ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate is CCOC(=O)CNCc1cn(C)nc1C.
What is the InChIKey of ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate?
The InChIKey is RTFXKKIQVMOOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)6-11-5-9-7-13(3)12-8(9)2/h7,11H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate?
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate has a molecular weight of 211.26 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate is sourced from PubChem (CID 83088889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).