methyl 3-(3-aminopyrazol-1-yl)propanoate

C7H11N3O2 — CID 63949312

IUPACmethyl 3-(3-aminopyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1ccc(N)n1
InChIInChI=1S/C7H11N3O2/c1-12-7(11)3-5-10-4-2-6(8)9-10/h2,4H,3,5H2,1H3,(H2,8,9)
InChIKeyIIBMBKSLTKHWSZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.03
Rot. Bonds3

About methyl 3-(3-aminopyrazol-1-yl)propanoate

methyl 3-(3-aminopyrazol-1-yl)propanoate (PubChem CID 63949312) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 3-(3-aminopyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-aminopyrazol-1-yl)propanoate
PubChem CID63949312
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethyl 3-(3-aminopyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1ccc(N)n1
InChIInChI=1S/C7H11N3O2/c1-12-7(11)3-5-10-4-2-6(8)9-10/h2,4H,3,5H2,1H3,(H2,8,9)
InChIKeyIIBMBKSLTKHWSZ-UHFFFAOYSA-N
XLogP0.03
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminopyrazol-1-yl)propanoate?
The IUPAC name of methyl 3-(3-aminopyrazol-1-yl)propanoate (CID 63949312) is methyl 3-(3-aminopyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(3-aminopyrazol-1-yl)propanoate?
The canonical SMILES for methyl 3-(3-aminopyrazol-1-yl)propanoate is COC(=O)CCn1ccc(N)n1.
What is the InChIKey of methyl 3-(3-aminopyrazol-1-yl)propanoate?
The InChIKey is IIBMBKSLTKHWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-12-7(11)3-5-10-4-2-6(8)9-10/h2,4H,3,5H2,1H3,(H2,8,9).
What are the key properties of methyl 3-(3-aminopyrazol-1-yl)propanoate?
methyl 3-(3-aminopyrazol-1-yl)propanoate has a molecular weight of 169.18 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminopyrazol-1-yl)propanoate is sourced from PubChem (CID 63949312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).