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135830-04-5 molecular structure
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1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile

ChemBase ID: 308953
Molecular Formular: C7H6N4
Molecular Mass: 146.14934
Monoisotopic Mass: 146.05924621
SMILES and InChIs

SMILES:
c12n(ncc1C#N)ccn2C
Canonical SMILES:
N#Cc1cnn2c1n(C)cc2
InChI:
InChI=1S/C7H6N4/c1-10-2-3-11-7(10)6(4-8)5-9-11/h2-3,5H,1H3
InChIKey:
OKRHNDXHPCRASP-UHFFFAOYSA-N

Cite this record

CBID:308953 http://www.chembase.cn/molecule-308953.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile
IUPAC Traditional name
1-methylpyrazolo[1,5-a]imidazole-7-carbonitrile
Synonyms
1-methyl-1H-imidazo[1,2-b]pyrazole-7-carbonitrile
CAS Number
135830-04-5
MDL Number
MFCD13188581

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9414377  LogD (pH = 7.4) 0.9414379 
Log P 0.9414379  Molar Refractivity 50.3729 cm3
Polarizability 14.600464 Å3 Polar Surface Area 46.02 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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