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23585-49-1 molecular structure
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(1H-pyrazol-3-yl)methanol

ChemBase ID: 806594
Molecular Formular: C4H6N2O
Molecular Mass: 98.10324
Monoisotopic Mass: 98.04801282
SMILES and InChIs

SMILES:
C(O)c1n[nH]cc1
Canonical SMILES:
OCc1cc[nH]n1
InChI:
InChI=1S/C4H6N2O/c7-3-4-1-2-5-6-4/h1-2,7H,3H2,(H,5,6)
InChIKey:
UIEABCXJWANXFS-UHFFFAOYSA-N

Cite this record

CBID:806594 http://www.chembase.cn/molecule-806594.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1H-pyrazol-3-yl)methanol
IUPAC Traditional name
1H-pyrazol-3-ylmethanol
Synonyms
(1H-PYRAZOL-3-YL)METHANOL
CAS Number
23585-49-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24347 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24347 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.747488  H Acceptors
H Donor LogD (pH = 5.5) -0.40848598 
LogD (pH = 7.4) -0.40844873  Log P -0.40844807 
Molar Refractivity 26.0391 cm3 Polarizability 9.620917 Å3
Polar Surface Area 48.91 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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