CAS 33641-15-5|2-methylpyrazol-3-ol|5-Hydroxy-1-methyl-1H-pyrazole|1-methyl-1H-pyrazol-5-ol|5-羟基-1-甲基-1H-吡唑|5-Hydroxy-1-methyl-1H-pyrazole|5-Hydroxy-1-methylpyrazole|5-羟基-1-甲基吡唑|5-Hydrox...

General Information

Structure

Molecular Formula

C₄H₆N₂O

Molecular Mass

98.10324

Exact Mass

98.04801282

Charge

InChI

InChI=1S/C4H6N2O/c1-6-4(7)2-3-5-6/h2-3,7H,1H3

InChIKey

CMXOTACIOGGSNH-UHFFFAOYSA-N

Canonic Smiles

Cn1nccc1O

Isomeric Smiles

n1(nccc1O)C

Calculated Properties

JChem

Acid pKa

7.015978

H Acceptors

H Donor

LogD (pH = 5.5)

0.17389399

LogD (pH = 7.4)

-0.323103

Log P

0.18683156

Molar Refractivity

36.1956

Polarizability

9.535934

Polar Surface Area

38.05

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2-methylpyrazol-3-ol

Synonyms

5-Hydroxy-1-methyl-1H-pyrazole5-羟基-1-甲基-1H-吡唑5-Hydroxy-1-methyl-1H-pyrazole5-Hydroxy-1-methylpyrazole5-羟基-1-甲基吡唑5-Hydroxy-1-methylpyrazole1-Methylpyrazol-5-ol1-Methyl-1H-pyrazol-5-ol5-Hydroxy-1-methyl-5-pyrazole1-Methyl-1H-pyrazol-5-ol1-Methyl-5-hydroxy-1H-pyrazole1-Methyl-5-hydroxypyrazole

IUPAC name

1-methyl-1H-pyrazol-5-ol

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number