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1225218-82-5 molecular structure
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3-(pyrrolidin-3-yl)-1H-pyrazole

ChemBase ID: 310164
Molecular Formular: C7H11N3
Molecular Mass: 137.18234
Monoisotopic Mass: 137.09529737
SMILES and InChIs

SMILES:
n1c(cc[nH]1)C1CNCC1
Canonical SMILES:
C1NCC(C1)c1n[nH]cc1
InChI:
InChI=1S/C7H11N3/c1-3-8-5-6(1)7-2-4-9-10-7/h2,4,6,8H,1,3,5H2,(H,9,10)
InChIKey:
NQUKCXGPCOPNRA-UHFFFAOYSA-N

Cite this record

CBID:310164 http://www.chembase.cn/molecule-310164.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(pyrrolidin-3-yl)-1H-pyrazole
IUPAC Traditional name
3-(pyrrolidin-3-yl)-1H-pyrazole
Synonyms
3-(3-pyrrolidinyl)-1H-pyrazole
CAS Number
1225218-82-5

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4082178 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.012053  LogD (pH = 7.4) -2.678803 
Log P 0.22371666  Molar Refractivity 40.0135 cm3
Polarizability 15.216801 Å3 Polar Surface Area 40.71 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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