ethyl 2-(3-aminopyrazol-1-yl)pentanoate

C10H17N3O2 — CID 83040824

IUPACethyl 2-(3-aminopyrazol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1ccc(N)n1
InChIInChI=1S/C10H17N3O2/c1-3-5-8(10(14)15-4-2)13-7-6-9(11)12-13/h6-8H,3-5H2,1-2H3,(H2,11,12)
InChIKeyZPCSEXFCQGJANN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.37
Rot. Bonds5

About ethyl 2-(3-aminopyrazol-1-yl)pentanoate

ethyl 2-(3-aminopyrazol-1-yl)pentanoate (PubChem CID 83040824) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-(3-aminopyrazol-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3-aminopyrazol-1-yl)pentanoate
PubChem CID83040824
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-(3-aminopyrazol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1ccc(N)n1
InChIInChI=1S/C10H17N3O2/c1-3-5-8(10(14)15-4-2)13-7-6-9(11)12-13/h6-8H,3-5H2,1-2H3,(H2,11,12)
InChIKeyZPCSEXFCQGJANN-UHFFFAOYSA-N
XLogP1.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopyrazol-1-yl)pentanoate?
The IUPAC name of ethyl 2-(3-aminopyrazol-1-yl)pentanoate (CID 83040824) is ethyl 2-(3-aminopyrazol-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(3-aminopyrazol-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(3-aminopyrazol-1-yl)pentanoate is CCCC(C(=O)OCC)n1ccc(N)n1.
What is the InChIKey of ethyl 2-(3-aminopyrazol-1-yl)pentanoate?
The InChIKey is ZPCSEXFCQGJANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-8(10(14)15-4-2)13-7-6-9(11)12-13/h6-8H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of ethyl 2-(3-aminopyrazol-1-yl)pentanoate?
ethyl 2-(3-aminopyrazol-1-yl)pentanoate has a molecular weight of 211.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopyrazol-1-yl)pentanoate is sourced from PubChem (CID 83040824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).