(4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate

C12H20N4O3 — CID 79183086

IUPAC(4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCCN1CCOC(COC(=O)Cn2cc(N)cn2)C1
InChIInChI=1S/C12H20N4O3/c1-2-15-3-4-18-11(7-15)9-19-12(17)8-16-6-10(13)5-14-16/h5-6,11H,2-4,7-9,13H2,1H3
InChIKeyKIVBMYCOCRKQSV-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.27
Rot. Bonds5

About (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate

(4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 79183086) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID79183086
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCCN1CCOC(COC(=O)Cn2cc(N)cn2)C1
InChIInChI=1S/C12H20N4O3/c1-2-15-3-4-18-11(7-15)9-19-12(17)8-16-6-10(13)5-14-16/h5-6,11H,2-4,7-9,13H2,1H3
InChIKeyKIVBMYCOCRKQSV-UHFFFAOYSA-N
XLogP-0.27
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate (CID 79183086) is (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate is CCN1CCOC(COC(=O)Cn2cc(N)cn2)C1.
What is the InChIKey of (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is KIVBMYCOCRKQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-15-3-4-18-11(7-15)9-19-12(17)8-16-6-10(13)5-14-16/h5-6,11H,2-4,7-9,13H2,1H3.
What are the key properties of (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate?
(4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 268.32 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 79183086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).