CAS 1072-91-9|1,3,5-Trimethyl-1H-pyrazole|1H-pyrazole, 1,3,5-trimethyl-|1,3,5-trimethyl-1H-pyrazole|1,3,5-Trimethylpyrazole|1,3,5-Trimethyl-1H-pyrazole 98%|1,3,5-Trimethyl-1H-pyrazole|1,3,5-Trimethy...

Molecular Formula

C₆H₁₀N₂

Molecular Mass

110.157

Exact Mass

110.08439833

InChI

InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3

InChIKey

HNOQAFMOBRWDKQ-UHFFFAOYSA-N

Canonic Smiles

Cc1cc(n(n1)C)C

Isomeric Smiles

n1n(c(cc1C)C)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.7287466

LogD (pH = 7.4)

0.73199576

Log P

0.73203737

Molar Refractivity

44.7026

Polarizability

12.417707

Polar Surface Area

17.82

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

14081

IUPAC name

1,3,5-trimethyl-1H-pyrazole

IUPAC Traditional name

1H-pyrazole, 1,3,5-trimethyl-

Synonyms

1,3,5-Trimethyl-1H-pyrazole1,3,5-Trimethylpyrazole1,3,5-Trimethyl-1H-pyrazole 98%1,3,5-Trimethyl-1H-pyrazole1,3,5-Trimethylpyrazole1,3,5-三甲基-1H-吡唑1,3,5-三甲基吡唑1,3,5-Trimethyl-1H-pyrazole

PubChem SID

CAS Number

MDL Number

Beilstein Number

Physical Property

MSDS Link

Download link

TSCA Listed

false

否

IRRITANT

Flammable

Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges