Amino pyrazole dihydrochloride

C5H11Cl2N3CAS 197367-87-6184.06 g/mol

Open in Covalent MOL file
NNH2NHClHCl
Primary amine

Properties

Molecular formula
C5H11Cl2N3
Molar mass
184.06 g/mol
Exact mass
183.0330 Da
logP
1.15Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
197367-87-6
SMILES
CC1=NN(C=C1N)C.Cl.Cl
InChIKey
DWNGGFJVARNXSR-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N3.2ClH/c1-4-5(6)3-8(2)7-4;;/h3H,6H2,1-2H3;2*1H

Weigh it out

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Names and synonyms

1 names
  • 1,3-Dimethyl-1H-pyrazol-4-amine dihydrochloride

Work with Amino pyrazole dihydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,3-Dimethyl-1H-pyrazol-4-amine64517-88-0Free base

Similar compounds

1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9ci)78703-53-439 % similar 1,3-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester1046832-21-638 % similar 6-Chloro-2-methyl-2H-indazol-5-amine1893125-36-438 % similar 3-Amino-6-methoxy-2-picoline hcl320577-63-737 % similar Ethyl 1,3-dimethyl-1H-pyrazole-4-carboxylate85290-76-235 % similar 1-Methyl-1H-imidazol-4-amine hydrochloride89088-69-733 % similar 1-Methyl-1H-pyrazol-3-amine1904-31-032 % similar o-Toluidinium chloride636-21-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Histamine dihydrochloride56-92-8

Elsewhere

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