4-Bromo-3-phenyl-1H-pyrazol-5-amine

C₉H₈BrN₃CAS 2845-78-5238.09 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₈BrN₃
Molar mass: 238.09 g/mol
Exact mass: 236.9902 Da
logP: 2.42Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

2845-78-5

SMILES

C1=CC=C(C=C1)C2=C(C(=NN2)N)Br

InChIKey

QTNVXMOPTHGCII-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrN3/c10-7-8(12-13-9(7)11)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13)

Weigh it out

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

Work with 4-Bromo-3-phenyl-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-3-methyl-4-phenylpyrazole60419-81-046 % similar 5-Amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carbonitrile330792-70-643 % similar 5-Amino-4-bromo-3-methylpyrazole hydrobromide167683-86-541 % similar 4-Bromo-1H-indazol-3-amine914311-50-539 % similar 4-Phenyl-1H-pyrazol-5-amine57999-06-138 % similar 3-Amino-5-phenylpyrazole827-41-838 % similar 6-Bromo-1H-indazol-3-amine404827-77-635 % similar 5-Bromo-1H-indazol-3-amine61272-71-735 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(4-Bromophenyl)-1H-pyrazol-3-amine78583-82-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook