chempirical

1H-Pyrazole-5-carbonitrile, 1-methyl-3-[(methylamino)methyl]-, hydrochloride (1:1)

C7H11ClN4CAS 1643141-20-1186.64 g/mol

Open in Covalent MOL file
NHNNNHCl
NitrileSecondary amine

Properties

Molecular formula
C7H11ClN4
Molar mass
186.64 g/mol
Exact mass
186.0672 Da
logP
0.43Crippen estimate
Polar surface area
53.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1643141-20-1
SMILES
CNCc1cc(C#N)n(C)n1.Cl
InChIKey
HJPCRCYMQZBXDN-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N4.ClH/c1-9-5-6-3-7(4-8)11(2)10-6;/h3,9H,5H2,1-2H3;1H

Weigh it out

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

Names and synonyms

1 names
  • 1H-Pyrazole-5-carbonitrile 1-methyl-3-[(methylamino)methyl]-, hydrochloride (1:1)

Work with 1H-Pyrazole-5-carbonitrile, 1-methyl-3-[(methylamino)methyl]-, hydrochloride (1:1)

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-(2-Isopropyl-1,3-thiazol-4-yl)-N-methylmethanamine dihydrochloride1185167-55-833 % similar 2-Isopropyl-4-((N-methylamino)methyl)thiazole hydrochloride908591-25-333 % similar 5-Amino-1-methyl-1H-pyrazole-4-carbonitrile5334-41-830 % similar N-Methylbenzylamine103-67-330 % similar N-Methylaminoacetonitrile hydrochloride25808-30-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook