chempirical

Isopyrine hydrochloride

C14H20ClN3OCAS 18342-39-7281.78 g/mol

Open in Covalent MOL file
HNONNHCl
Secondary amine

Properties

Molecular formula
C14H20ClN3O
Molar mass
281.78 g/mol
Exact mass
281.1295 Da
logP
2.73Crippen estimate
Polar surface area
39.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
18342-39-7
SMILES
Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C.Cl
InChIKey
WJPVTNJDDFIBKU-UHFFFAOYSA-N
InChI
InChI=1S/C14H19N3O.ClH/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12;/h5-10,15H,1-4H3;1H

Weigh it out

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

Names and synonyms

3 names
  • 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[(1-methylethyl)amino]-2-phenyl-, hydrochloride (1:1)
  • Antipyrine, 4-(isopropylamino)-, monohydrochloride
  • 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[(1-methylethyl)amino]-2-phenyl-, monohydrochloride

Work with Isopyrine hydrochloride

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

Ramifenazone3615-24-592 % similar 4-Aminoantipyrine hydrochloride22198-72-760 % similar Propyphenazone479-92-557 % similar Ampyrone83-07-853 % similar Diantipyrylmethane1251-85-052 % similar 4-Iodoantipyrine129-81-752 % similar Aminopyrine58-15-150 % similar 4-Formylantipyrine950-81-250 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook