5-Chloro-1,3-dimethyl-4-nitro-1H-pyrazole

C₅H₆ClN₃O₂CAS 13551-73-0175.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₅H₆ClN₃O₂
Molar mass: 175.57 g/mol
Exact mass: 175.0149 Da
logP: 1.29Crippen estimate
Polar surface area: 61.0 Å²
H-bond donors / acceptors: 0 / 3
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 3 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

13551-73-0

SMILES

CC1=NN(C(=C1[N+](=O)[O-])Cl)C

InChIKey

WBMBDRIOUHCVAS-UHFFFAOYSA-N

InChI

InChI=1S/C5H6ClN3O2/c1-3-4(9(10)11)5(6)8(2)7-3/h1-2H3

Weigh it out

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

Work with 5-Chloro-1,3-dimethyl-4-nitro-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

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde27006-76-446 % similar 2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-044 % similar 4-Chloro-2,6-dimethyl-3-nitropyridine15513-48-142 % similar 5-Chloro-1-methyl-4-nitroimidazole4897-25-040 % similar 3,5-Dimethyl-4-nitroisoxazole1123-49-540 % similar 3,5-Dimethyl-4-nitropyrazole14531-55-640 % similar 1,2,4,5-Tetramethyl-3,6-dinitrobenzene5465-13-438 % similar 6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione16632-21-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4,6-dimethoxy-1,3,5-triazine3140-73-6

Elsewhere

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