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73907-99-0 molecular structure
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ethyl 6-amino-1H-indazole-7-carboxylate

ChemBase ID: 293001
Molecular Formular: C10H11N3O2
Molecular Mass: 205.21324
Monoisotopic Mass: 205.08512661
SMILES and InChIs

SMILES:
CCOC(=O)c1c2[nH]ncc2ccc1N
Canonical SMILES:
CCOC(=O)c1c(N)ccc2c1[nH]nc2
InChI:
InChI=1S/C10H11N3O2/c1-2-15-10(14)8-7(11)4-3-6-5-12-13-9(6)8/h3-5H,2,11H2,1H3,(H,12,13)
InChIKey:
SCTMZLMUCSXNGV-UHFFFAOYSA-N

Cite this record

CBID:293001 http://www.chembase.cn/molecule-293001.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 6-amino-1H-indazole-7-carboxylate
IUPAC Traditional name
ethyl 6-amino-1H-indazole-7-carboxylate
Synonyms
Ethyl 6-amino-1H-indazole-7-carboxylate
CAS Number
73907-99-0
PubChem SID
180678532
PubChem CID
70700930

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241887 Please log in.
Data Source Data ID
PubChem 70700930 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.7081785  H Acceptors
H Donor LogD (pH = 5.5) 1.4775883 
LogD (pH = 7.4) 1.4776636  Log P 1.4776666 
Molar Refractivity 57.5474 cm3 Polarizability 22.041874 Å3
Polar Surface Area 81.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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