Pyrazole
Properties
- Molecular formula
- C3H4N2
- Molar mass
- 68.08 g/mol
- Exact mass
- 68.0374 Da
- Density
- 0.952 g/mL (at 155 °C)
- Melting point
- 68 °C
- Boiling point
- 187 °C
- logP
- 0.41Crippen estimate
- Polar surface area
- 28.7 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed98.9% of notifiers
- H311 Toxic in contact with skin80% of notifiers
- H315 Causes skin irritation99.6% of notifiers
- H318 Causes serious eye damage80% of notifiers
- H319 Causes serious eye irritation19.2% of notifiers
- H335 May cause respiratory irritation19.2% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure80% of notifiers
- H412 Harmful to aquatic life with long lasting effects80.4% of notifiers
Aggregated from 265 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
288-13-1SMILES
c1cn[nH]c1InChIKey
WTKZEGDFNFYCGP-UHFFFAOYSA-NInChI
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 1H-Pyrazole
- 1,2-Diazole
- NSC 45410
- 2-Azapyrrole
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 288-13-1. Each row opens the sheet with its composition and PDF.
Work with Pyrazole
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
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds