ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate

C14H12N8O2 — CID 102024151

IUPACethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc3ccccc3n3nnnc23)c1N
InChIInChI=1S/C14H12N8O2/c1-2-24-14(23)8-7-16-22(11(8)15)12-13-18-19-20-21(13)10-6-4-3-5-9(10)17-12/h3-7H,2,15H2,1H3
InChIKeyPFMBJDWBANPMEL-UHFFFAOYSA-N
MW324.30 g/mol
LogP0.62
Rot. Bonds3

About ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate

ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate (PubChem CID 102024151) has the molecular formula C14H12N8O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate
PubChem CID102024151
Molecular FormulaC14H12N8O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Nameethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc3ccccc3n3nnnc23)c1N
InChIInChI=1S/C14H12N8O2/c1-2-24-14(23)8-7-16-22(11(8)15)12-13-18-19-20-21(13)10-6-4-3-5-9(10)17-12/h3-7H,2,15H2,1H3
InChIKeyPFMBJDWBANPMEL-UHFFFAOYSA-N
XLogP0.62
TPSA126.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

ethyl 2-(tetrazolo[1,5-a]quinoxalin-4-ylsulfanyl)acetate
CID 22434313
ethyl 5-amino-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 732237
ethyl 5-amino-1-(2-chlorophenyl)pyrazole-4-carboxylate
CID 3376846
2-(5-amino-4-ethoxycarbonylpyrazol-1-yl)benzoate
CID 3376847
ethyl 5-amino-1-(5,6-dimethylpyrazin-2-yl)pyrazole-4-carboxylate
CID 82192656
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
ethyl 5-amino-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carboxylate
CID 692270
ethyl 5-amino-1-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]pyrazole-4-carboxylate
CID 4870913
triethoxy(tetrazolo[1,5-a]quinoxalin-4-ylimino)-λ5-phosphane
CID 4193241
ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 82365413
ethyl 5-amino-1-[5-tert-butyl-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrazole-4-carboxylate
CID 4970032
ethyl 2-indazol-1-ylpyridine-3-carboxylate
CID 66720157

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate (CID 102024151) is ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2nc3ccccc3n3nnnc23)c1N.
What is the InChIKey of ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate?
The InChIKey is PFMBJDWBANPMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N8O2/c1-2-24-14(23)8-7-16-22(11(8)15)12-13-18-19-20-21(13)10-6-4-3-5-9(10)17-12/h3-7H,2,15H2,1H3.
What are the key properties of ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate has a molecular weight of 324.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(tetrazolo[1,5-a]quinoxalin-4-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 102024151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).