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1175788-42-7 molecular structure
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3-(2-methoxyphenyl)-1H-indazol-5-amine

ChemBase ID: 797429
Molecular Formular: C14H13N3O
Molecular Mass: 239.27252
Monoisotopic Mass: 239.10586205
SMILES and InChIs

SMILES:
c1(n[nH]c2ccc(cc12)N)c1c(cccc1)OC
Canonical SMILES:
COc1ccccc1c1n[nH]c2c1cc(N)cc2
InChI:
InChI=1S/C14H13N3O/c1-18-13-5-3-2-4-10(13)14-11-8-9(15)6-7-12(11)16-17-14/h2-8H,15H2,1H3,(H,16,17)
InChIKey:
BOOYCKXHLZRWGK-UHFFFAOYSA-N

Cite this record

CBID:797429 http://www.chembase.cn/molecule-797429.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-methoxyphenyl)-1H-indazol-5-amine
IUPAC Traditional name
3-(2-methoxyphenyl)-1H-indazol-5-amine
Synonyms
3-(2-Methoxyphenyl)-1H-indazol-5-aMine
CAS Number
1175788-42-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O7374 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O7374 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.924317  H Acceptors
H Donor LogD (pH = 5.5) 2.339805 
LogD (pH = 7.4) 2.3427484  Log P 2.342786 
Molar Refractivity 72.0009 cm3 Polarizability 29.336414 Å3
Polar Surface Area 63.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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