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N-[3-(5-fluoro-1H-1,3-benzodiazol-2-yl)propyl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide

ChemBase ID: 865765
Molecular Formular: C17H18FN5O
Molecular Mass: 327.3561232
Monoisotopic Mass: 327.14953844
SMILES and InChIs

SMILES:
c1(n[nH]c2c1CCC2)C(=O)NCCCc1nc2c([nH]1)ccc(c2)F
Canonical SMILES:
Fc1ccc2c(c1)nc([nH]2)CCCNC(=O)c1n[nH]c2c1CCC2
InChI:
InChI=1S/C17H18FN5O/c18-10-6-7-13-14(9-10)21-15(20-13)5-2-8-19-17(24)16-11-3-1-4-12(11)22-23-16/h6-7,9H,1-5,8H2,(H,19,24)(H,20,21)(H,22,23)
InChIKey:
CYLLGSGBPIENNF-UHFFFAOYSA-N

Cite this record

CBID:865765 http://www.chembase.cn/molecule-865765.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(5-fluoro-1H-1,3-benzodiazol-2-yl)propyl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
IUPAC Traditional name
N-[3-(5-fluoro-1H-1,3-benzodiazol-2-yl)propyl]-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
Synonyms
N-[3-(5-fluoro-1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66733805 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)
Acid pKa 11.88049  H Acceptors
H Donor LogD (pH = 5.5) 2.0205452 
LogD (pH = 7.4) 2.2574806  Log P 2.2616494 
Molar Refractivity 88.7821 cm3 Polarizability 33.722675 Å3
Polar Surface Area 86.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.58  LOG S -2.94 
Polar Surface Area 86.46 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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