2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride

C6H9ClN2O3 — CID 91663047

IUPAC2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride
SMILESCl.Cn1cc(OCC(=O)O)cn1
InChIInChI=1S/C6H8N2O3.ClH/c1-8-3-5(2-7-8)11-4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);1H
InChIKeyBQMBKERSGINMOJ-UHFFFAOYSA-N
MW192.60 g/mol
LogP0.31
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride

2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride (PubChem CID 91663047) has the molecular formula C6H9ClN2O3 and a molecular weight of 192.60 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride
PubChem CID91663047
Molecular FormulaC6H9ClN2O3
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride
SMILESCl.Cn1cc(OCC(=O)O)cn1
InChIInChI=1S/C6H8N2O3.ClH/c1-8-3-5(2-7-8)11-4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);1H
InChIKeyBQMBKERSGINMOJ-UHFFFAOYSA-N
XLogP0.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride (CID 91663047) is 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride is Cl.Cn1cc(OCC(=O)O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride?
The InChIKey is BQMBKERSGINMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.ClH/c1-8-3-5(2-7-8)11-4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);1H.
What are the key properties of 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride?
2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride has a molecular weight of 192.60 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxyacetic acid;hydrochloride is sourced from PubChem (CID 91663047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).