1-Phenylpyrazole
Properties
- Molecular formula
- C9H8N2
- Molar mass
- 144.18 g/mol
- Exact mass
- 144.0687 Da
- Density
- 1.0908 g/mL (at 20 °C)
- Melting point
- 138 °C
- Boiling point
- 141–142 °C
- logP
- 1.87Crippen 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 46 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
1126-00-7SMILES
c1ccc(-n2cccn2)cc1InChIKey
WITMXBRCQWOZPX-UHFFFAOYSA-NInChI
InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1H-Pyrazole, 1-phenyl-
- Pyrazole, 1-phenyl-
- 1-Phenyl-1H-pyrazole
- N-Phenylpyrazole
- NSC 65588
Work with 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
4-(1H-Pyrazol-1-yl)aniline17635-45-963 % similar
(4-Pyrazol-1-ylphenyl)methanol143426-49-757 % similar
4-Pyrazol-1-yl-benzaldehyde99662-34-757 % similar
4-(1H-Pyrazol-1-yl)benzoic acid16209-00-052 % similar
2-(1H-Pyrazol-1-yl)benzaldehyde138479-47-745 % similar
3-Methyl-1-phenyl-1H-pyrazole1128-54-743 % similar
2-(1H-Pyrazol-1-yl)benzoic acid55317-53-842 % similar
1-Phenylimidazole7164-98-941 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.