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92-43-3 molecular structure
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1-phenyl-4,5-dihydro-1H-pyrazol-3-ol

ChemBase ID: 105450
Molecular Formular: C9H10N2O
Molecular Mass: 162.1885
Monoisotopic Mass: 162.07931295
SMILES and InChIs

SMILES:
OC1=NN(CC1)c1ccccc1
Canonical SMILES:
OC1=NN(CC1)c1ccccc1
InChI:
InChI=1S/C9H10N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKey:
CMCWWLVWPDLCRM-UHFFFAOYSA-N

Cite this record

CBID:105450 http://www.chembase.cn/molecule-105450.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenyl-4,5-dihydro-1H-pyrazol-3-ol
IUPAC Traditional name
phenidone
Synonyms
1-PHENYL-3-PYRAZOLIDONE
CAS Number
92-43-3
PubChem SID
162092126
PubChem CID
7090

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02190258 external link Add to cart Please log in.
Data Source Data ID
PubChem 7090 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.1765623  H Acceptors
H Donor LogD (pH = 5.5) 1.8641433 
LogD (pH = 7.4) 1.4487904  Log P 1.8767768 
Molar Refractivity 56.6138 cm3 Polarizability 17.418623 Å3
Polar Surface Area 35.83 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

MP Biomedicals MP Biomedicals
MP Biomedicals - 02190258 external link
(Phenidone)
Crystalline

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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