4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium

C12H6N5O4+ — CID 102145146

IUPAC4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium
SMILESN#Cc1cnn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1[N+]#N
InChIInChI=1S/C12H5N5O4/c13-4-8-5-15-17(10(8)16-14)9-2-6(11(18)19)1-7(3-9)12(20)21/h1-3,5H,(H-,18,19,20,21)/p+1
InChIKeyCHVIJBZESRBCMB-UHFFFAOYSA-O
MW284.21 g/mol
LogP1.62
Rot. Bonds3

About 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium

4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium (PubChem CID 102145146) has the molecular formula C12H6N5O4+ and a molecular weight of 284.21 g/mol. Its IUPAC name is 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium.

Molecular Properties

Compound Name4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium
PubChem CID102145146
Molecular FormulaC12H6N5O4+
Molecular Weight284.21 g/mol
Exact Mass284.04
IUPAC Name4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium
SMILESN#Cc1cnn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1[N+]#N
InChIInChI=1S/C12H5N5O4/c13-4-8-5-15-17(10(8)16-14)9-2-6(11(18)19)1-7(3-9)12(20)21/h1-3,5H,(H-,18,19,20,21)/p+1
InChIKeyCHVIJBZESRBCMB-UHFFFAOYSA-O
XLogP1.62
TPSA144.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium?
The IUPAC name of 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium (CID 102145146) is 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium.
What is the SMILES notation for 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium?
The canonical SMILES for 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium is N#Cc1cnn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1[N+]#N.
What is the InChIKey of 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium?
The InChIKey is CHVIJBZESRBCMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H5N5O4/c13-4-8-5-15-17(10(8)16-14)9-2-6(11(18)19)1-7(3-9)12(20)21/h1-3,5H,(H-,18,19,20,21)/p+1.
What are the key properties of 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium?
4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium has a molecular weight of 284.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-(3,5-dicarboxyphenyl)pyrazole-5-diazonium is sourced from PubChem (CID 102145146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).