(3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate

C11H19N3O3 — CID 103036396

IUPAC(3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate
SMILESCOC(C)(C)CCOC(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H19N3O3/c1-11(2,16-3)5-7-17-10(15)8-14-6-4-9(12)13-14/h4,6H,5,7-8H2,1-3H3,(H2,12,13)
InChIKeyZWYYOSHLBADTFG-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.82
Rot. Bonds6

About (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate

(3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 103036396) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate
PubChem CID103036396
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate
SMILESCOC(C)(C)CCOC(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H19N3O3/c1-11(2,16-3)5-7-17-10(15)8-14-6-4-9(12)13-14/h4,6H,5,7-8H2,1-3H3,(H2,12,13)
InChIKeyZWYYOSHLBADTFG-UHFFFAOYSA-N
XLogP0.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate (CID 103036396) is (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate is COC(C)(C)CCOC(=O)Cn1ccc(N)n1.
What is the InChIKey of (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is ZWYYOSHLBADTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,16-3)5-7-17-10(15)8-14-6-4-9(12)13-14/h4,6H,5,7-8H2,1-3H3,(H2,12,13).
What are the key properties of (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate?
(3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 241.29 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 103036396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).