2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride

C5H6BrClN2O2 — CID 154878708

IUPAC2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1[nH]ncc1Br
InChIInChI=1S/C5H5BrN2O2.ClH/c6-3-2-7-8-4(3)1-5(9)10;/h2H,1H2,(H,7,8)(H,9,10);1H
InChIKeySFWYELUCLOTGLR-UHFFFAOYSA-N
MW241.47 g/mol
LogP1.22
Rot. Bonds2

About 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride

2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride (PubChem CID 154878708) has the molecular formula C5H6BrClN2O2 and a molecular weight of 241.47 g/mol. Its IUPAC name is 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride
PubChem CID154878708
Molecular FormulaC5H6BrClN2O2
Molecular Weight241.47 g/mol
Exact Mass239.93
IUPAC Name2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1[nH]ncc1Br
InChIInChI=1S/C5H5BrN2O2.ClH/c6-3-2-7-8-4(3)1-5(9)10;/h2H,1H2,(H,7,8)(H,9,10);1H
InChIKeySFWYELUCLOTGLR-UHFFFAOYSA-N
XLogP1.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride (CID 154878708) is 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride is Cl.O=C(O)Cc1[nH]ncc1Br.
What is the InChIKey of 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride?
The InChIKey is SFWYELUCLOTGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2O2.ClH/c6-3-2-7-8-4(3)1-5(9)10;/h2H,1H2,(H,7,8)(H,9,10);1H.
What are the key properties of 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride?
2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride has a molecular weight of 241.47 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-pyrazol-5-yl)acetic acid;hydrochloride is sourced from PubChem (CID 154878708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).