3-Chloro-1H-pyrazole

C₃H₃ClN₂CAS 14339-33-4102.52 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃H₃ClN₂
Molar mass: 102.52 g/mol
Exact mass: 101.9985 Da
logP: 1.06Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14339-33-4

SMILES

C1=C(NN=C1)Cl

InChIKey

IJPFBRONCJOTTA-UHFFFAOYSA-N

InChI

InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)

Weigh it out

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Work with 3-Chloro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-3(2H)-pyridazinone1677-79-844 % similar 3-(4-Chlorophenyl)-1H-pyrazole59843-58-243 % similar 3-Bromo-1H-pyrazole14521-80-342 % similar 3-Iodo-1H-pyrazole4522-35-442 % similar 1H-Pyrazole-5-carboxylic acid1621-91-638 % similar 2H-Pyrazole-3-carboxylic acid797027-83-938 % similar 3-Cyclopropyl-1H-pyrazole100114-57-637 % similar 3-(Trifluoromethyl)pyrazole20154-03-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloropyrazole15878-00-9 5-Chloro-1H-imidazole15965-31-8 2-Chloro-1H-imidazole16265-04-6

Elsewhere

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