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1185295-94-6 molecular structure
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1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethanamine

ChemBase ID: 306742
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
n1[nH]c2c(c1CN)CCC2
Canonical SMILES:
NCc1n[nH]c2c1CCC2
InChI:
InChI=1S/C7H11N3/c8-4-7-5-2-1-3-6(5)9-10-7/h1-4,8H2,(H,9,10)
InChIKey:
JHFGJFWHCHWKFW-UHFFFAOYSA-N

Cite this record

CBID:306742 http://www.chembase.cn/molecule-306742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethanamine
IUPAC Traditional name
1H,4H,5H,6H-cyclopenta[c]pyrazol-3-ylmethanamine
Synonyms
(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amine
CAS Number
1185295-94-6
MDL Number
MFCD20502477

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3894613  LogD (pH = 7.4) -0.7576682 
Log P 0.25644934  Molar Refractivity 40.6093 cm3
Polarizability 15.137149 Å3 Polar Surface Area 54.7 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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