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4-(1-methyl-1H-pyrazol-4-yl)-1-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,2,3,6-tetrahydropyridine

ChemBase ID: 420230
Molecular Formular: C19H21N5
Molecular Mass: 319.40354
Monoisotopic Mass: 319.1796957
SMILES and InChIs

SMILES:
c1(cn(nc1)C)C1=CCN(Cc2ccc(n3nccc3)cc2)CC1
Canonical SMILES:
Cn1ncc(c1)C1=CCN(CC1)Cc1ccc(cc1)n1cccn1
InChI:
InChI=1S/C19H21N5/c1-22-15-18(13-21-22)17-7-11-23(12-8-17)14-16-3-5-19(6-4-16)24-10-2-9-20-24/h2-7,9-10,13,15H,8,11-12,14H2,1H3
InChIKey:
OKLMGKYMTFIHAU-UHFFFAOYSA-N

Cite this record

CBID:420230 http://www.chembase.cn/molecule-420230.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1-methyl-1H-pyrazol-4-yl)-1-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,2,3,6-tetrahydropyridine
IUPAC Traditional name
4-(1-methylpyrazol-4-yl)-1-{[4-(pyrazol-1-yl)phenyl]methyl}-3,6-dihydro-2H-pyridine
Synonyms
4-(1-methyl-1H-pyrazol-4-yl)-1-[4-(1H-pyrazol-1-yl)benzyl]-1,2,3,6-tetrahydropyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 25942651 external link Add to cart
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.1769588  LogD (pH = 7.4) 1.5910524 
Log P 2.5885715  Molar Refractivity 109.3474 cm3
Polarizability 37.273296 Å3 Polar Surface Area 38.88 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.64  LOG S -2.78 
Polar Surface Area 38.88 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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