1-Methyl-1H-pyrazole
Properties
- Molecular formula
- C4H6N2
- Molar mass
- 82.11 g/mol
- Exact mass
- 82.0531 Da
- Density
- 0.985 g/mL (at 20 °C)
- Boiling point
- 127 °C
- logP
- 0.42Crippen estimate
- Polar surface area
- 17.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor98.3% of notifiers
- H315 Causes skin irritation96.7% of notifiers
- H319 Causes serious eye irritation95% of notifiers
- H335 May cause respiratory irritation91.7% of notifiers
Aggregated from 60 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
930-36-9SMILES
Cn1cccn1InChIKey
UQFQONCQIQEYPJ-UHFFFAOYSA-NInChI
InChI=1S/C4H6N2/c1-6-4-2-3-5-6/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- 1H-Pyrazole, 1-methyl-
- Pyrazole, 1-methyl-
- 1-Methylpyrazole
Work with 1-Methyl-1H-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
1-Isopropyl-1H-pyrazole18952-87-940 % similar
1-Ethylpyrazole2817-71-240 % similar
1-Methyl-1,2,3-triazole16681-65-539 % similar
2-Pyrazol-1-ylethylamin101395-71-533 % similar
1-Phenylpyrazole1126-00-733 % similar
1-Methyl-1,2,4-triazole6086-21-133 % similar
1-Nitropyrazole7119-95-131 % similar
Imidazo(1,2-a)pyrimidine274-95-331 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.