1H-pyrazole-5-carboxylic acid;zinc

C4H4N2O2Zn — CID 158581218

IUPAC1H-pyrazole-5-carboxylic acid;zinc
SMILESO=C(O)c1ccn[nH]1.[Zn]
InChIInChI=1S/C4H4N2O2.Zn/c7-4(8)3-1-2-5-6-3;/h1-2H,(H,5,6)(H,7,8);
InChIKeyHTGSHEPABSGLFD-UHFFFAOYSA-N
MW177.48 g/mol
LogP0.11
Rot. Bonds1

About 1H-pyrazole-5-carboxylic acid;zinc

1H-pyrazole-5-carboxylic acid;zinc (PubChem CID 158581218) has the molecular formula C4H4N2O2Zn and a molecular weight of 177.48 g/mol. Its IUPAC name is 1H-pyrazole-5-carboxylic acid;zinc.

Molecular Properties

Compound Name1H-pyrazole-5-carboxylic acid;zinc
PubChem CID158581218
Molecular FormulaC4H4N2O2Zn
Molecular Weight177.48 g/mol
Exact Mass175.96
IUPAC Name1H-pyrazole-5-carboxylic acid;zinc
SMILESO=C(O)c1ccn[nH]1.[Zn]
InChIInChI=1S/C4H4N2O2.Zn/c7-4(8)3-1-2-5-6-3;/h1-2H,(H,5,6)(H,7,8);
InChIKeyHTGSHEPABSGLFD-UHFFFAOYSA-N
XLogP0.11
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.48
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carboxylic acid;zinc?
The IUPAC name of 1H-pyrazole-5-carboxylic acid;zinc (CID 158581218) is 1H-pyrazole-5-carboxylic acid;zinc.
What is the SMILES notation for 1H-pyrazole-5-carboxylic acid;zinc?
The canonical SMILES for 1H-pyrazole-5-carboxylic acid;zinc is O=C(O)c1ccn[nH]1.[Zn].
What is the InChIKey of 1H-pyrazole-5-carboxylic acid;zinc?
The InChIKey is HTGSHEPABSGLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.Zn/c7-4(8)3-1-2-5-6-3;/h1-2H,(H,5,6)(H,7,8);.
What are the key properties of 1H-pyrazole-5-carboxylic acid;zinc?
1H-pyrazole-5-carboxylic acid;zinc has a molecular weight of 177.48 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carboxylic acid;zinc is sourced from PubChem (CID 158581218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).