3-Methyl-5-phenylpyrazole

C₁₀H₁₀N₂CAS 3347-62-4158.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀N₂
Molar mass: 158.20 g/mol
Exact mass: 158.0844 Da
Melting point: 128 °C
Boiling point: 180–195 °C (at 10 Torr)
logP: 2.39Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3347-62-4

SMILES

Cc1cc(-c2ccccc2)n[nH]1

InChIKey

QHRSESMSOJZMCO-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

10 names

1H-Pyrazole, 3-methyl-5-phenyl-
Pyrazole, 3-methyl-5-phenyl-
Pyrazole, 3(or 5)-methyl-5(or 3)-phenyl-
3-Methyl-5-phenyl-1H-pyrazole
Phemerazole
5-Methyl-3-phenylpyrazole
Femerazol
3-Phenyl-5-methylpyrazole
NSC 78454
5-Methyl-3-phenyl-1H-pyrazole

Work with 3-Methyl-5-phenylpyrazole

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Dimethylpyrazole67-51-645 % similar 3-(Heptafluoro-1-propyl)-5-phenylpyrazole54864-78-743 % similar 2-Phenyl-4-methylimidazole827-43-042 % similar 3-Chloro-5-methyl-1H-pyrazole15953-45-442 % similar 3-Phenylpyrazole2458-26-642 % similar 3-Bromo-5-methyl-1H-pyrazole57097-81-142 % similar 4-Methyl-2-phenylpyridine3475-21-641 % similar 4-Methyl-2,5-diphenylpyridine156021-08-839 % similar

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

Same formula

3-Methyl-1-phenyl-1H-pyrazole1128-54-7 8-Aminoquinaldine18978-78-4 2-Naphthylhydrazine2243-57-4 1,5-Diaminonaphthalene2243-62-1 2,3-Dimethylquinoxaline2379-55-7 4-Methyl-2-quinolinamine27063-27-0 1-Benzylimidazole4238-71-5 1,8-Diaminonaphthalene479-27-6

Elsewhere

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