ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride

C7H12ClN3O2 — CID 45156243

IUPACethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride
SMILESCCOC(=O)Cn1ccc(N)n1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-2-12-7(11)5-10-4-3-6(8)9-10;/h3-4H,2,5H2,1H3,(H2,8,9);1H
InChIKeyAXPCUNLVFHHMDU-UHFFFAOYSA-N
MW205.65 g/mol
LogP0.45
Rot. Bonds3

About ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride

ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride (PubChem CID 45156243) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride
PubChem CID45156243
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Nameethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride
SMILESCCOC(=O)Cn1ccc(N)n1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-2-12-7(11)5-10-4-3-6(8)9-10;/h3-4H,2,5H2,1H3,(H2,8,9);1H
InChIKeyAXPCUNLVFHHMDU-UHFFFAOYSA-N
XLogP0.45
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.45
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)acetate;hydrochloride?
The IUPAC name of ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride (CID 45156243) is ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride is CCOC(=O)Cn1ccc(N)n1.Cl.
What is the InChIKey of ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride?
The InChIKey is AXPCUNLVFHHMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-2-12-7(11)5-10-4-3-6(8)9-10;/h3-4H,2,5H2,1H3,(H2,8,9);1H.
What are the key properties of ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride?
ethyl 2-(3-aminopyrazol-1-yl)acetate;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 0.45, 3 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)acetate;hydrochloride is sourced from PubChem (CID 45156243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).