bis(1H-pyrazole-5-carboxylic acid);zinc

C8H8N4O4Zn — CID 141485018

IUPACbis(1H-pyrazole-5-carboxylic acid);zinc
SMILESO=C(O)c1ccn[nH]1.O=C(O)c1ccn[nH]1.[Zn]
InChIInChI=1S/2C4H4N2O2.Zn/c2*7-4(8)3-1-2-5-6-3;/h2*1-2H,(H,5,6)(H,7,8);
InChIKeyQZJFLFGVRPBELO-UHFFFAOYSA-N
MW289.57 g/mol
LogP0.21
Rot. Bonds2

About bis(1H-pyrazole-5-carboxylic acid);zinc

bis(1H-pyrazole-5-carboxylic acid);zinc (PubChem CID 141485018) has the molecular formula C8H8N4O4Zn and a molecular weight of 289.57 g/mol. Its IUPAC name is bis(1H-pyrazole-5-carboxylic acid);zinc.

Molecular Properties

Compound Namebis(1H-pyrazole-5-carboxylic acid);zinc
PubChem CID141485018
Molecular FormulaC8H8N4O4Zn
Molecular Weight289.57 g/mol
Exact Mass287.98
IUPAC Namebis(1H-pyrazole-5-carboxylic acid);zinc
SMILESO=C(O)c1ccn[nH]1.O=C(O)c1ccn[nH]1.[Zn]
InChIInChI=1S/2C4H4N2O2.Zn/c2*7-4(8)3-1-2-5-6-3;/h2*1-2H,(H,5,6)(H,7,8);
InChIKeyQZJFLFGVRPBELO-UHFFFAOYSA-N
XLogP0.21
TPSA131.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.57
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 bis(1H-pyrazole-5-carboxylic acid);zinc?
The IUPAC name of bis(1H-pyrazole-5-carboxylic acid);zinc (CID 141485018) is bis(1H-pyrazole-5-carboxylic acid);zinc.
What is the SMILES notation for bis(1H-pyrazole-5-carboxylic acid);zinc?
The canonical SMILES for bis(1H-pyrazole-5-carboxylic acid);zinc is O=C(O)c1ccn[nH]1.O=C(O)c1ccn[nH]1.[Zn].
What is the InChIKey of bis(1H-pyrazole-5-carboxylic acid);zinc?
The InChIKey is QZJFLFGVRPBELO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2O2.Zn/c2*7-4(8)3-1-2-5-6-3;/h2*1-2H,(H,5,6)(H,7,8);.
What are the key properties of bis(1H-pyrazole-5-carboxylic acid);zinc?
bis(1H-pyrazole-5-carboxylic acid);zinc has a molecular weight of 289.57 g/mol, XLogP of 0.21, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-pyrazole-5-carboxylic acid);zinc is sourced from PubChem (CID 141485018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).