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1211594-50-1 molecular structure
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4-(propan-2-yl)-1H-pyrazol-1-ol

ChemBase ID: 799890
Molecular Formular: C6H10N2O
Molecular Mass: 126.1564
Monoisotopic Mass: 126.07931295
SMILES and InChIs

SMILES:
n1(ncc(c1)C(C)C)O
Canonical SMILES:
On1ncc(c1)C(C)C
InChI:
InChI=1S/C6H10N2O/c1-5(2)6-3-7-8(9)4-6/h3-5,9H,1-2H3
InChIKey:
DPUMMZUEKGYKKY-UHFFFAOYSA-N

Cite this record

CBID:799890 http://www.chembase.cn/molecule-799890.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(propan-2-yl)-1H-pyrazol-1-ol
IUPAC Traditional name
4-isopropylpyrazol-1-ol
Synonyms
4-isopropyl-1H-pyrazol-1-ol
CAS Number
1211594-50-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14938 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14938 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.74106  H Acceptors
H Donor LogD (pH = 5.5) 0.8501066 
LogD (pH = 7.4) 0.84816647  Log P 0.8501339 
Molar Refractivity 46.0201 cm3 Polarizability 13.201074 Å3
Polar Surface Area 38.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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