5-Chloropyrazolo(1,5-a)pyrimidine

C₆H₄ClN₃CAS 29274-24-6153.57 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₄ClN₃
Molar mass: 153.57 g/mol
Exact mass: 153.0094 Da
logP: 1.38Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

29274-24-6

SMILES

C1=CN2C(=CC=N2)N=C1Cl

InChIKey

WEPRLWNMBTYGGD-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClN3/c7-5-2-4-10-6(9-5)1-3-8-10/h1-4H

Weigh it out

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

Names and synonyms

1 names

5-Chloropyrazolo[1,5-A]pyrimidine

Work with 5-Chloropyrazolo(1,5-a)pyrimidine

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

5,7-Dichloropyrazolo[1,5-A]pyrimidine57489-77-747 % similar Pyrazolopyrimidine274-71-545 % similar 2,6-Dichloropyridine2402-78-042 % similar 5-Chloro-3-nitropyrazolo[1,5-A]pyrimidine1363380-51-141 % similar 6-Chloroimidazo[2,1-F]pyridazine6775-78-637 % similar Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate1224944-77-737 % similar Imidazo(1,2-b)pyridazine766-55-236 % similar 2,4-Dichloropyrimidine3934-20-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-5H-pyrrolo[3,2-D]pyrimidine1119280-66-8 6-Chloro-1H-pyrazolo(4,3-c)pyridine1206979-33-0 4-Chloro-1H-pyrazolo[3,4-b]pyridine29274-28-0 2-Chloro-7H-pyrrolo[2,3-D]pyrimidine335654-06-3 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine3680-69-1 5-Chloro-3H-imidazo[4,5-B]pyridine52090-89-8 7-Chloropyrazolo[1,5-A]pyrimidine58347-49-2 6-Chloro-1H-pyrazolo[3,4-B]pyridine63725-51-9

Elsewhere

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