(4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate

C13H22N4O3 — CID 64533747

IUPAC(4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCC(C)N1CCOC(COC(=O)Cn2cc(N)cn2)C1
InChIInChI=1S/C13H22N4O3/c1-10(2)16-3-4-19-12(7-16)9-20-13(18)8-17-6-11(14)5-15-17/h5-6,10,12H,3-4,7-9,14H2,1-2H3
InChIKeyOFMNEUNGEJEUAR-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.12
Rot. Bonds5

About (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate

(4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 64533747) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID64533747
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name(4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCC(C)N1CCOC(COC(=O)Cn2cc(N)cn2)C1
InChIInChI=1S/C13H22N4O3/c1-10(2)16-3-4-19-12(7-16)9-20-13(18)8-17-6-11(14)5-15-17/h5-6,10,12H,3-4,7-9,14H2,1-2H3
InChIKeyOFMNEUNGEJEUAR-UHFFFAOYSA-N
XLogP0.12
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate (CID 64533747) is (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate is CC(C)N1CCOC(COC(=O)Cn2cc(N)cn2)C1.
What is the InChIKey of (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is OFMNEUNGEJEUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10(2)16-3-4-19-12(7-16)9-20-13(18)8-17-6-11(14)5-15-17/h5-6,10,12H,3-4,7-9,14H2,1-2H3.
What are the key properties of (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate?
(4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 282.34 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylmorpholin-2-yl)methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 64533747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).