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877041-43-5 molecular structure
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2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine

ChemBase ID: 116406
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
c1(c2c(nn1C)CCC2)N
Canonical SMILES:
Nc1n(C)nc2c1CCC2
InChI:
InChI=1S/C7H11N3/c1-10-7(8)5-3-2-4-6(5)9-10/h2-4,8H2,1H3
InChIKey:
GEWGAHBJEYYFKI-UHFFFAOYSA-N

Cite this record

CBID:116406 http://www.chembase.cn/molecule-116406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine
IUPAC Traditional name
2-methyl-4H,5H,6H-cyclopenta[c]pyrazol-3-amine
Synonyms
2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CAS Number
877041-43-5
885529-68-0
MDL Number
MFCD08444199
PubChem SID
162101524
PubChem CID
16227065

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16227065 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5231975  LogD (pH = 7.4) 0.54281646 
Log P 0.5430724  Molar Refractivity 51.3725 cm3
Polarizability 14.672507 Å3 Polar Surface Area 43.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
134 - 136°C expand Show data source
Partition Coefficient
0.183 expand Show data source
Hydrophobicity(logP)
0.364 expand Show data source
Purity
95% expand Show data source
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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