2-pyrazol-1-ylacetic acid;hydrochloride

C5H7ClN2O2 — CID 43810758

IUPAC2-pyrazol-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)Cn1cccn1
InChIInChI=1S/C5H6N2O2.ClH/c8-5(9)4-7-3-1-2-6-7;/h1-3H,4H2,(H,8,9);1H
InChIKeyIXQBNHJQEQETFX-UHFFFAOYSA-N
MW162.58 g/mol
LogP0.39
Rot. Bonds2

About 2-pyrazol-1-ylacetic acid;hydrochloride

2-pyrazol-1-ylacetic acid;hydrochloride (PubChem CID 43810758) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 2-pyrazol-1-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrazol-1-ylacetic acid;hydrochloride
PubChem CID43810758
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name2-pyrazol-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)Cn1cccn1
InChIInChI=1S/C5H6N2O2.ClH/c8-5(9)4-7-3-1-2-6-7;/h1-3H,4H2,(H,8,9);1H
InChIKeyIXQBNHJQEQETFX-UHFFFAOYSA-N
XLogP0.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylacetic acid;hydrochloride?
The IUPAC name of 2-pyrazol-1-ylacetic acid;hydrochloride (CID 43810758) is 2-pyrazol-1-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-pyrazol-1-ylacetic acid;hydrochloride?
The canonical SMILES for 2-pyrazol-1-ylacetic acid;hydrochloride is Cl.O=C(O)Cn1cccn1.
What is the InChIKey of 2-pyrazol-1-ylacetic acid;hydrochloride?
The InChIKey is IXQBNHJQEQETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.ClH/c8-5(9)4-7-3-1-2-6-7;/h1-3H,4H2,(H,8,9);1H.
What are the key properties of 2-pyrazol-1-ylacetic acid;hydrochloride?
2-pyrazol-1-ylacetic acid;hydrochloride has a molecular weight of 162.58 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylacetic acid;hydrochloride is sourced from PubChem (CID 43810758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).