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

C8H8CdN4O4 — CID 156579853

IUPACcadmium;bis(1H-pyrazole-5-carboxylic acid)
SMILESO=C(O)c1ccn[nH]1.O=C(O)c1ccn[nH]1.[Cd]
InChIInChI=1S/2C4H4N2O2.Cd/c2*7-4(8)3-1-2-5-6-3;/h2*1-2H,(H,5,6)(H,7,8);
InChIKeyKYZWJTAFBYOAHF-UHFFFAOYSA-N
MW336.59 g/mol
LogP0.21
Rot. Bonds2

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

cadmium;bis(1H-pyrazole-5-carboxylic acid) (PubChem CID 156579853) has the molecular formula C8H8CdN4O4 and a molecular weight of 336.59 g/mol. Its IUPAC name is cadmium;bis(1H-pyrazole-5-carboxylic acid).

Molecular Properties

Compound Namecadmium;bis(1H-pyrazole-5-carboxylic acid)
PubChem CID156579853
Molecular FormulaC8H8CdN4O4
Molecular Weight336.59 g/mol
Exact Mass337.96
IUPAC Namecadmium;bis(1H-pyrazole-5-carboxylic acid)
SMILESO=C(O)c1ccn[nH]1.O=C(O)c1ccn[nH]1.[Cd]
InChIInChI=1S/2C4H4N2O2.Cd/c2*7-4(8)3-1-2-5-6-3;/h2*1-2H,(H,5,6)(H,7,8);
InChIKeyKYZWJTAFBYOAHF-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 ≤ 500336.59
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cadmium;bis(1H-pyrazole-5-carboxylic acid)?
The IUPAC name of cadmium;bis(1H-pyrazole-5-carboxylic acid) (CID 156579853) is cadmium;bis(1H-pyrazole-5-carboxylic acid).
What is the SMILES notation for cadmium;bis(1H-pyrazole-5-carboxylic acid)?
The canonical SMILES for cadmium;bis(1H-pyrazole-5-carboxylic acid) is O=C(O)c1ccn[nH]1.O=C(O)c1ccn[nH]1.[Cd].
What is the InChIKey of cadmium;bis(1H-pyrazole-5-carboxylic acid)?
The InChIKey is KYZWJTAFBYOAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4N2O2.Cd/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 cadmium;bis(1H-pyrazole-5-carboxylic acid)?
cadmium;bis(1H-pyrazole-5-carboxylic acid) has a molecular weight of 336.59 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 cadmium;bis(1H-pyrazole-5-carboxylic acid) is sourced from PubChem (CID 156579853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).