methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride

C6H9ClN2O2 — CID 146026756

IUPACmethyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride
SMILESCOC(=O)Cc1cn[nH]c1.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-10-6(9)2-5-3-7-8-4-5;/h3-4H,2H2,1H3,(H,7,8);1H
InChIKeyREYVQPFMKHDWIK-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.55
Rot. Bonds2

About methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride

methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride (PubChem CID 146026756) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride
PubChem CID146026756
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Namemethyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride
SMILESCOC(=O)Cc1cn[nH]c1.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-10-6(9)2-5-3-7-8-4-5;/h3-4H,2H2,1H3,(H,7,8);1H
InChIKeyREYVQPFMKHDWIK-UHFFFAOYSA-N
XLogP0.55
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride (CID 146026756) is methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride is COC(=O)Cc1cn[nH]c1.Cl.
What is the InChIKey of methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride?
The InChIKey is REYVQPFMKHDWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c1-10-6(9)2-5-3-7-8-4-5;/h3-4H,2H2,1H3,(H,7,8);1H.
What are the key properties of methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride?
methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-pyrazol-4-yl)acetate;hydrochloride is sourced from PubChem (CID 146026756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).