ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate

C11H19N3O2 — CID 59345794

IUPACethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C11H19N3O2/c1-5-16-10(15)7-14-9(12)6-8(13-14)11(2,3)4/h6H,5,7,12H2,1-4H3
InChIKeyNKLKNVALGKYXRM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.33
Rot. Bonds3

About ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate

ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate (PubChem CID 59345794) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate
PubChem CID59345794
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C11H19N3O2/c1-5-16-10(15)7-14-9(12)6-8(13-14)11(2,3)4/h6H,5,7,12H2,1-4H3
InChIKeyNKLKNVALGKYXRM-UHFFFAOYSA-N
XLogP1.33
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate (CID 59345794) is ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate is CCOC(=O)Cn1nc(C(C)(C)C)cc1N.
What is the InChIKey of ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate?
The InChIKey is NKLKNVALGKYXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-16-10(15)7-14-9(12)6-8(13-14)11(2,3)4/h6H,5,7,12H2,1-4H3.
What are the key properties of ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate?
ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate has a molecular weight of 225.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-3-tert-butylpyrazol-1-yl)acetate is sourced from PubChem (CID 59345794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).