4-ethoxycarbonyl-1H-pyrazole-5-diazonium

C6H7N4O2+ — CID 4596819

IUPAC4-ethoxycarbonyl-1H-pyrazole-5-diazonium
SMILESCCOC(=O)c1cn[nH]c1[N+]#N
InChIInChI=1S/C6H6N4O2/c1-2-12-6(11)4-3-8-10-5(4)9-7/h3H,2H2,1H3/p+1
InChIKeyWOHJVWMEKKUYHC-UHFFFAOYSA-O
MW167.15 g/mol
LogP1.07
Rot. Bonds2

About 4-ethoxycarbonyl-1H-pyrazole-5-diazonium

4-ethoxycarbonyl-1H-pyrazole-5-diazonium (PubChem CID 4596819) has the molecular formula C6H7N4O2+ and a molecular weight of 167.15 g/mol. Its IUPAC name is 4-ethoxycarbonyl-1H-pyrazole-5-diazonium.

Molecular Properties

Compound Name4-ethoxycarbonyl-1H-pyrazole-5-diazonium
PubChem CID4596819
Molecular FormulaC6H7N4O2+
Molecular Weight167.15 g/mol
Exact Mass167.06
IUPAC Name4-ethoxycarbonyl-1H-pyrazole-5-diazonium
SMILESCCOC(=O)c1cn[nH]c1[N+]#N
InChIInChI=1S/C6H6N4O2/c1-2-12-6(11)4-3-8-10-5(4)9-7/h3H,2H2,1H3/p+1
InChIKeyWOHJVWMEKKUYHC-UHFFFAOYSA-O
XLogP1.07
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-1H-pyrazole-4-carboxylate
CID 81472
ethyl 1H-pyrazole-4-carboxylate
CID 142179
3-amino-1H-pyrazole-4-carboxylic acid
CID 96774
Methyl 3-amino-1H-pyrazole-4-carboxylate
CID 272904
Methyl 1H-pyrazole-4-carboxylate
CID 9793760
Pyrazole-4-carboxylic acid, 5-(N,N-dimethylformimidoyl)-, ethyl ester
CID 9554631
Ethyl 3-iodo-1H-pyrazole-4-carboxylate
CID 45480481
ethyl 3-bromo-1H-pyrazole-4-carboxylate
CID 56956181
Pyrazole-4-carboxylic acid, 5-(N,N,1-trimethylformimidoyl)-, ethyl ester
CID 9588007
Pyrazole-4-carboxylic acid, 5-((1-methyl-2-pyrrolidinylidene)amino)-, ethyl ester
CID 9588008
ethyl 5-fluoro-1H-pyrazole-4-carboxylate
CID 56956182
methyl 1H-pyrazole-4-carboxylate hydrochloride
CID 66545347

Frequently Asked Questions

What is the IUPAC name of 4-ethoxycarbonyl-1H-pyrazole-5-diazonium?
The IUPAC name of 4-ethoxycarbonyl-1H-pyrazole-5-diazonium (CID 4596819) is 4-ethoxycarbonyl-1H-pyrazole-5-diazonium.
What is the SMILES notation for 4-ethoxycarbonyl-1H-pyrazole-5-diazonium?
The canonical SMILES for 4-ethoxycarbonyl-1H-pyrazole-5-diazonium is CCOC(=O)c1cn[nH]c1[N+]#N.
What is the InChIKey of 4-ethoxycarbonyl-1H-pyrazole-5-diazonium?
The InChIKey is WOHJVWMEKKUYHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6N4O2/c1-2-12-6(11)4-3-8-10-5(4)9-7/h3H,2H2,1H3/p+1.
What are the key properties of 4-ethoxycarbonyl-1H-pyrazole-5-diazonium?
4-ethoxycarbonyl-1H-pyrazole-5-diazonium has a molecular weight of 167.15 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxycarbonyl-1H-pyrazole-5-diazonium is sourced from PubChem (CID 4596819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).