2-(1H-pyrazol-4-yl)acetic acid;hydrochloride

C5H7ClN2O2 — CID 127255517

IUPAC2-(1H-pyrazol-4-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cn[nH]c1
InChIInChI=1S/C5H6N2O2.ClH/c8-5(9)1-4-2-6-7-3-4;/h2-3H,1H2,(H,6,7)(H,8,9);1H
InChIKeyIPNJYJRCWYVYGT-UHFFFAOYSA-N
MW162.58 g/mol
LogP0.46
Rot. Bonds2

About 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride

2-(1H-pyrazol-4-yl)acetic acid;hydrochloride (PubChem CID 127255517) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)acetic acid;hydrochloride
PubChem CID127255517
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name2-(1H-pyrazol-4-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cn[nH]c1
InChIInChI=1S/C5H6N2O2.ClH/c8-5(9)1-4-2-6-7-3-4;/h2-3H,1H2,(H,6,7)(H,8,9);1H
InChIKeyIPNJYJRCWYVYGT-UHFFFAOYSA-N
XLogP0.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride (CID 127255517) is 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride is Cl.O=C(O)Cc1cn[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride?
The InChIKey is IPNJYJRCWYVYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.ClH/c8-5(9)1-4-2-6-7-3-4;/h2-3H,1H2,(H,6,7)(H,8,9);1H.
What are the key properties of 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride?
2-(1H-pyrazol-4-yl)acetic acid;hydrochloride has a molecular weight of 162.58 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)acetic acid;hydrochloride is sourced from PubChem (CID 127255517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).