3-Methyl-1-phenyl-1H-pyrazole
Properties
- Molecular formula
- C10H10N2
- Molar mass
- 158.20 g/mol
- Exact mass
- 158.0844 Da
- Melting point
- 37 °C
- Boiling point
- 255 °C
- logP
- 2.18Crippen estimate
- Polar surface area
- 17.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1128-54-7SMILES
Cc1ccn(-c2ccccc2)n1InChIKey
RJXLUGSJEMSDPK-UHFFFAOYSA-NInChI
InChI=1S/C10H10N2/c1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2-8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1H-Pyrazole, 3-methyl-1-phenyl-
- Pyrazole, 3-methyl-1-phenyl-
- 3-Methyl-1-phenylpyrazole
- 1-Phenyl-3-methylpyrazole
- NSC 163372
Work with 3-Methyl-1-phenyl-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
3,5-Dimethyl-1-phenylpyrazole1131-16-445 % similar
1,3-Dimethylpyrazole694-48-445 % similar
5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-544 % similar
1-Phenylpyrazole1126-00-743 % similar
5-Amino-3-methyl-1-phenylpyrazole1131-18-643 % similar
2-Phenyl-2H-indazole3682-71-139 % similar
1-Phenyl-3-hydroxy-1,2,4-triazole4231-68-938 % similar
2-Methylimidazo[1,2-a]pyridine934-37-238 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds