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1-[1-(difluoromethyl)-1H-pyrazole-3-carbonyl]-4-[(4-fluorophenyl)methyl]piperidine

ChemBase ID: 341695
Molecular Formular: C17H18F3N3O
Molecular Mass: 337.3395296
Monoisotopic Mass: 337.14019687
SMILES and InChIs

SMILES:
c1(nn(cc1)C(F)F)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
Canonical SMILES:
Fc1ccc(cc1)CC1CCN(CC1)C(=O)c1ccn(n1)C(F)F
InChI:
InChI=1S/C17H18F3N3O/c18-14-3-1-12(2-4-14)11-13-5-8-22(9-6-13)16(24)15-7-10-23(21-15)17(19)20/h1-4,7,10,13,17H,5-6,8-9,11H2
InChIKey:
UGTAMLNOYREFHM-UHFFFAOYSA-N

Cite this record

CBID:341695 http://www.chembase.cn/molecule-341695.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[1-(difluoromethyl)-1H-pyrazole-3-carbonyl]-4-[(4-fluorophenyl)methyl]piperidine
IUPAC Traditional name
1-[1-(difluoromethyl)pyrazole-3-carbonyl]-4-[(4-fluorophenyl)methyl]piperidine
Synonyms
1-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}-4-(4-fluorobenzyl)piperidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14054627 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.8701663  LogD (pH = 7.4) 3.8701668 
Log P 3.8701668  Molar Refractivity 95.0731 cm3
Polarizability 30.894114 Å3 Polar Surface Area 38.13 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.74  LOG S -3.15 
Polar Surface Area 38.13 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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