2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride

C6H9ClN2O2 — CID 71306210

IUPAC2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride
SMILESCl.Cn1ccc(CC(=O)O)n1
InChIInChI=1S/C6H8N2O2.ClH/c1-8-3-2-5(7-8)4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);1H
InChIKeyRPSOFEHSLGVHTF-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.47
Rot. Bonds2

About 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride

2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride (PubChem CID 71306210) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride
PubChem CID71306210
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride
SMILESCl.Cn1ccc(CC(=O)O)n1
InChIInChI=1S/C6H8N2O2.ClH/c1-8-3-2-5(7-8)4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);1H
InChIKeyRPSOFEHSLGVHTF-UHFFFAOYSA-N
XLogP0.47
TPSA55.12 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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride (CID 71306210) is 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride is Cl.Cn1ccc(CC(=O)O)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride?
The InChIKey is RPSOFEHSLGVHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c1-8-3-2-5(7-8)4-6(9)10;/h2-3H,4H2,1H3,(H,9,10);1H.
What are the key properties of 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride?
2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)acetic acid;hydrochloride is sourced from PubChem (CID 71306210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).