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

C6H9N3O2 — CID 25252393

IUPACmethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCOC(=O)Cn1cc(N)cn1
InChIInChI=1S/C6H9N3O2/c1-11-6(10)4-9-3-5(7)2-8-9/h2-3H,4,7H2,1H3
InChIKeyBZXKIYODOVQMLF-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.36
Rot. Bonds2

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

methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 25252393) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID25252393
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCOC(=O)Cn1cc(N)cn1
InChIInChI=1S/C6H9N3O2/c1-11-6(10)4-9-3-5(7)2-8-9/h2-3H,4,7H2,1H3
InChIKeyBZXKIYODOVQMLF-UHFFFAOYSA-N
XLogP-0.36
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of methyl 2-(4-aminopyrazol-1-yl)acetate (CID 25252393) is methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for methyl 2-(4-aminopyrazol-1-yl)acetate is COC(=O)Cn1cc(N)cn1.
What is the InChIKey of methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is BZXKIYODOVQMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-6(10)4-9-3-5(7)2-8-9/h2-3H,4,7H2,1H3.
What are the key properties of methyl 2-(4-aminopyrazol-1-yl)acetate?
methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 155.16 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 25252393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).