chempirical

3,5-Dimethyl-1-phenylpyrazole

C11H12N2CAS 1131-16-4172.23 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C11H12N2
Molar mass
172.23 g/mol
Exact mass
172.1000 Da
Melting point
92 °C
Boiling point
273 °C
logP
2.49Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
1131-16-4
SMILES
Cc1cc(C)n(-c2ccccc2)n1
InChIKey
ULPMPUPEFBDQQA-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2/c1-9-8-10(2)13(12-9)11-6-4-3-5-7-11/h3-8H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 1H-Pyrazole, 3,5-dimethyl-1-phenyl-
  • Pyrazole, 3,5-dimethyl-1-phenyl-
  • 3,5-Dimethyl-1-phenyl-1H-pyrazole
  • 1-Phenyl-3,5-dimethylpyrazole
  • 3,5-Dimethyl-N-phenylpyrazole
  • 1-Phenyl-3,5-dimethyl-1H-pyrazole

Work with 3,5-Dimethyl-1-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-565 % similar 5-Amino-3-methyl-1-phenylpyrazole1131-18-663 % similar 1,3,5-Trimethylpyrazole1072-91-950 % similar 3-Methyl-1-phenyl-1H-pyrazole1128-54-745 % similar 2,5-Dimethyl-1-phenylpyrrole83-24-943 % similar 1-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-140 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-338 % similar 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine126208-61-538 % similar

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

Same formula

1-Benzyl-2-methylimidazole13750-62-4 Tryptoline16502-01-5 2,3,6-Trimethylquinoxaline17635-21-1

Elsewhere

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