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87748-30-9 molecular structure
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2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine

ChemBase ID: 167846
Molecular Formular: C8H9N3
Molecular Mass: 147.17716
Monoisotopic Mass: 147.0796473
SMILES and InChIs

SMILES:
c1(ccccn1)C1=NNCC1
Canonical SMILES:
c1ccc(nc1)C1=NNCC1
InChI:
InChI=1S/C8H9N3/c1-2-5-9-7(3-1)8-4-6-10-11-8/h1-3,5,10H,4,6H2
InChIKey:
LOAAGDVVIHEJQR-UHFFFAOYSA-N

Cite this record

CBID:167846 http://www.chembase.cn/molecule-167846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine
IUPAC Traditional name
2-(4,5-dihydro-1H-pyrazol-3-yl)pyridine
Synonyms
2-(4,5-Dihydro-1H-pyrazol-3-yl)pyridine
CAS Number
87748-30-9
PubChem SID
162261979
PubChem CID
71316258

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC D453395 external link Add to cart
PubChem 71316258 external link
Data Source Data ID Price
TRC
D453395 external link Add to cart Please log in.
Data Source Data ID
PubChem 71316258 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.908903  H Acceptors
H Donor LogD (pH = 5.5) 0.57698965 
LogD (pH = 7.4) 0.5772713  Log P 0.57727486 
Molar Refractivity 52.9409 cm3 Polarizability 16.369682 Å3
Polar Surface Area 37.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D453395 external link
2-(4,5-Dihydro-1H-pyrazol-3-yl)pyridine is used as an intermediate in the preparation of cyclopropylpyridine analogues.

REFERENCES

REFERENCES

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  • • Al-Khaffaf, S.I. et al.: J. Prakt. Chem., 325, 517 (1983)
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PATENTS

PATENTS

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INTERNET

INTERNET

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