2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride

C7H12ClN3O2 — CID 162254126

IUPAC2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride
SMILESCC(=O)OCCc1cn[nH]c1N.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-5(11)12-3-2-6-4-9-10-7(6)8;/h4H,2-3H2,1H3,(H3,8,9,10);1H
InChIKeyQMCUHRRDPQTVQT-UHFFFAOYSA-N
MW205.65 g/mol
LogP0.52
Rot. Bonds3

About 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride

2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride (PubChem CID 162254126) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride
PubChem CID162254126
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride
SMILESCC(=O)OCCc1cn[nH]c1N.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-5(11)12-3-2-6-4-9-10-7(6)8;/h4H,2-3H2,1H3,(H3,8,9,10);1H
InChIKeyQMCUHRRDPQTVQT-UHFFFAOYSA-N
XLogP0.52
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride (CID 162254126) is 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride is CC(=O)OCCc1cn[nH]c1N.Cl.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride?
The InChIKey is QMCUHRRDPQTVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-5(11)12-3-2-6-4-9-10-7(6)8;/h4H,2-3H2,1H3,(H3,8,9,10);1H.
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride?
2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride is sourced from PubChem (CID 162254126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).