1,5-Dimethylpyrazole

C₅H₈N₂CAS 694-31-596.13 g/mol

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Properties

Molecular formula: C₅H₈N₂
Molar mass: 96.13 g/mol
Exact mass: 96.0687 Da
Density: 0.9852 g/mL (at 20 °C)
Boiling point: 145–155 °C
logP: 0.73Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

694-31-5

SMILES

Cc1ccnn1C

InChIKey

LSZQMSSIUQNTDX-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2/c1-5-3-4-6-7(5)2/h3-4H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

3 names

1H-Pyrazole, 1,5-dimethyl-
Pyrazole, 1,5-dimethyl-
1,5-Dimethyl-1H-pyrazole

Work with 1,5-Dimethylpyrazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methyl-1H-pyrazol-5-amine1192-21-850 % similar 1-Methyl-1H-pyrazol-5-ol33641-15-550 % similar 5-Iodo-1-methyl-1H-pyrazole34091-51-550 % similar 1H-Pyrazole,5-bromo-1-methyl-(9ci)361476-01-950 % similar (1-Methyl-1H-pyrazol-5-yl)boronic acid720702-41-046 % similar 1-Methyl-1H-pyrazole-5-carboxaldehyde27258-33-945 % similar 1-Methyl-1H-pyrazole-5-methanol84547-61-545 % similar 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylimidazole1072-62-4 1,4-Dimethylpyrazole1072-68-0 Pyrrolidine-1-carbonitrile1530-88-7 1,2-Dimethylimidazole1739-84-0 1-Ethylpyrazole2817-71-2 3,4-Dimethylpyrazole2820-37-3 3,5-Dimethylpyrazole67-51-6 1,3-Dimethylpyrazole694-48-4

Elsewhere

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