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1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone structure

CAS No:
1123-48-4
Formula:
C7H10N2O
Chemical Name:
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
Synonyms:
1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone;NSC 45012;NSC-45012;NSC45012;4-acetyl-3,5-dimethylpyrazole;Ethanone,1-(3,5-dimethyl-1H-pyrazol-4-yl)-;1-(3,5-Dimethyl-1H-pyrazol-4-yl)-ethanone;SCHEMBL1640767

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1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone Basic Attributes

Molecular Weight：

138.17

Exact Mass：

138.07900

NSC Number：

45012

DSSTox ID：

DTXSID50286352

HScode：

2933199090

Characteristics

PSA：

45.8

XLogP3：

1.22910

Density：

1.104±0.06 g/cm3(Predicted)

Melting Point：

129.5-130 °C

Boiling Point：

289.3±35.0 °C(Predicted)

Flash Point：

133.2ºC

Refractive Index：

1.527

Drug Information

MeSH Entry Terms：

1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

Computed Properties

Molecular Weight:138.17
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:138.079312947
Monoisotopic Mass:138.079312947
Topological Polar Surface Area:45.8
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

Basic Attributes
Characteristics
Drug Information
Computed Properties

1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

SDS

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