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923282-39-7 molecular structure
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7-chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine

ChemBase ID: 287000
Molecular Formular: C6H5ClN4
Molecular Mass: 168.5837
Monoisotopic Mass: 168.02027386
SMILES and InChIs

SMILES:
Cn1ncc2ncnc(Cl)c12
Canonical SMILES:
Cn1ncc2c1c(Cl)ncn2
InChI:
InChI=1S/C6H5ClN4/c1-11-5-4(2-10-11)8-3-9-6(5)7/h2-3H,1H3
InChIKey:
SNAXHGFEBGMQMG-UHFFFAOYSA-N

Cite this record

CBID:287000 http://www.chembase.cn/molecule-287000.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine
IUPAC Traditional name
7-chloro-1-methylpyrazolo[4,3-d]pyrimidine
Synonyms
7-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine
CAS Number
923282-39-7
PubChem SID
180672531
PubChem CID
44558545

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD110427 Please log in.
Data Source Data ID
PubChem 44558545 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7065446  LogD (pH = 7.4) 0.70654553 
Log P 0.7065456  Molar Refractivity 53.4475 cm3
Polarizability 16.60011 Å3 Polar Surface Area 43.6 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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