1-Methyl-1H-pyrazole

C₄H₆N₂CAS 930-36-982.11 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

930-36-9

SMILES

Cn1cccn1

InChIKey

UQFQONCQIQEYPJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N2/c1-6-4-2-3-5-6/h2-4H,1H3

Weigh 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 2-Pyrazol-1-ylethylamin101395-71-533 % similar 1-Phenylpyrazole1126-00-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Amino-2-butenenitrile1118-61-2 3-Methylpyrazole1453-58-3 1-Methylimidazole616-47-7 2-Methylimidazole693-98-1 4-Methylpyrazole7554-65-6 1H-Pyrrol-1-amine765-39-9 4-Methylimidazole822-36-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook