5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole

C6H9ClN2CAS 852227-86-2144.60 g/mol

Open in Covalent MOL file
ClNN
Alkyl halide

Properties

Molecular formula
C6H9ClN2
Molar mass
144.60 g/mol
Exact mass
144.0454 Da
logP
1.47Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
852227-86-2
SMILES
Cc1cc(CCl)n(C)n1
InChIKey
SGEZKPNUNBVVLB-UHFFFAOYSA-N
InChI
InChI=1S/C6H9ClN2/c1-5-3-6(4-7)9(2)8-5/h3H,4H2,1-2H3

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Names and synonyms

3 names
  • 1H-Pyrazole, 5-(chloromethyl)-1,3-dimethyl-
  • 5-(Chloromethyl)-1,3-dimethylpyrazole
  • 5-Chloromethyl-1,3-dimethyl-1H-pyrazole

Work with 5-(Chloromethyl)-1,3-dimethyl-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

(1,3-Dimethyl-1H-pyrazol-5-yl)methylamine499770-63-761 % similar (1,3-Dimethyl-1H-pyrazol-5-yl)methanol57012-20-161 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-352 % similar 5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-752 % similar 1,3,5-Trimethylpyrazole1072-91-950 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-147 % similar 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride55458-67-843 % similar 1,3-Dimethyl-1H-pyrazole-5-carbaldehyde25016-09-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Chloromethyl)-1,5-dimethyl-1H-pyrazole180519-09-9 Phenylhydrazine hydrochloride59-88-1

Elsewhere

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