4-Methylpyrazole
Properties
- Molecular formula
- C4H6N2
- Molar mass
- 82.11 g/mol
- Exact mass
- 82.0531 Da
- Melting point
- 15.5–18.5 °C
- Boiling point
- 206 °C
- logP
- 0.72Crippen estimate
- Polar surface area
- 28.7 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin68.8% of notifiers
- H314 Causes severe skin burns and eye damage68.8% of notifiers
- H315 Causes skin irritation31.2% of notifiers
- H318 Causes serious eye damage69.5% of notifiers
- H319 Causes serious eye irritation30.5% of notifiers
- H335 May cause respiratory irritation30.5% of notifiers
Aggregated from 154 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
7554-65-6SMILES
Cc1cn[nH]c1InChIKey
RIKMMFOAQPJVMX-UHFFFAOYSA-NInChI
InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1H-Pyrazole, 4-methyl-
- Pyrazole, 4-methyl-
- 4-Methyl-1H-pyrazole
- 4-MP
- Fomepizole
- Antizol
Work with 4-Methylpyrazole
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
1,4-Di(1H-pyrazol-4-yl)benzene1036248-62-042 % similar
1,3,5-Tris(pyrazol-4-yl)benzene1325728-09-342 % similar
4-Chloropyrazole15878-00-942 % similar
4-Bromopyrazole2075-45-842 % similar
1H-Pyrazol-4-amine28466-26-442 % similar
4-Iodopyrazole3469-69-042 % similar
4-Fluoro-1H-pyrazole35277-02-242 % similar
5-Methyl-3(2H)-pyridazinone54709-94-339 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.