1,3-Diphenyl-1H-pyrazol-5-amine

C15H13N3CAS 5356-71-8235.29 g/mol

Open in Covalent MOL file
H2NNN
Primary amine

Properties

Molecular formula
C15H13N3
Molar mass
235.29 g/mol
Exact mass
235.1109 Da
Melting point
129–130 °C
logP
3.12Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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
5356-71-8
SMILES
Nc1cc(-c2ccccc2)nn1-c1ccccc1
InChIKey
SXOFMEWDEKEVJU-UHFFFAOYSA-N
InChI
InChI=1S/C15H13N3/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-11H,16H2

Weigh it out

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

Names and synonyms

5 names
  • 1H-Pyrazol-5-amine, 1,3-diphenyl-
  • Pyrazole, 5-amino-1,3-diphenyl-
  • 5-Amino-1,3-diphenylpyrazole
  • 1,3-Diphenyl-5-aminopyrazole
  • 2,5-Diphenylpyrazol-3-amine

Work with 1,3-Diphenyl-1H-pyrazol-5-amine

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

5-Amino-1-methyl-3-phenylpyrazole10199-50-559 % similar 5-Amino-3-methyl-1-phenylpyrazole1131-18-659 % similar 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine126208-61-554 % similar 3-Cyclopropyl-1-phenyl-1H-pyrazol-5-amine175137-45-854 % similar 4,6-Diphenylpyrimidin-2-amine40230-24-841 % similar 5-Amino-3-phenylisoxazole4369-55-538 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-437 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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