ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate

C13H24N4O2 — CID 64975108

IUPACethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)C(NCCN(C)C)c1c(C)n[nH]c1C
InChIInChI=1S/C13H24N4O2/c1-6-19-13(18)12(14-7-8-17(4)5)11-9(2)15-16-10(11)3/h12,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyUVTMCNJLBPEDST-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.78
Rot. Bonds7

About ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate

ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate (PubChem CID 64975108) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
PubChem CID64975108
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)C(NCCN(C)C)c1c(C)n[nH]c1C
InChIInChI=1S/C13H24N4O2/c1-6-19-13(18)12(14-7-8-17(4)5)11-9(2)15-16-10(11)3/h12,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyUVTMCNJLBPEDST-UHFFFAOYSA-N
XLogP0.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate (CID 64975108) is ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate is CCOC(=O)C(NCCN(C)C)c1c(C)n[nH]c1C.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
The InChIKey is UVTMCNJLBPEDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-19-13(18)12(14-7-8-17(4)5)11-9(2)15-16-10(11)3/h12,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate?
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate has a molecular weight of 268.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 64975108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).