chempirical

4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide hydrochloride (1:1)

C8H15ClN4OCAS 247584-10-7218.68 g/mol

Open in Covalent MOL file
NNNH2ONH2HCl
AmidePrimary amine

Properties

Molecular formula
C8H15ClN4O
Molar mass
218.68 g/mol
Exact mass
218.0934 Da
logP
0.48Crippen estimate
Polar surface area
86.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
247584-10-7
SMILES
CCCc1nn(C)c(C(N)=O)c1N.Cl
InChIKey
TWAOVUDRQJPVDF-UHFFFAOYSA-N
InChI
InChI=1S/C8H14N4O.ClH/c1-3-4-5-6(9)7(8(10)13)12(2)11-5;/h3-4,9H2,1-2H3,(H2,10,13);1H

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Names and synonyms

2 names
  • 1H-Pyrazole-5-carboxamide, 4-amino-1-methyl-3-propyl-, hydrochloride (1:1)
  • 1H-Pyrazole-5-carboxamide, 4-amino-1-methyl-3-propyl-, monohydrochloride

Work with 4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide 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

4-Amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide139756-02-892 % similar 1-Methyl-4-nitro-3-propyl-1H-pyrazole-5-carboxamide139756-01-757 % similar 4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid127892-62-032 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-032 % similar 4-N-Butylbenzamide107377-07-131 % similar

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

Elsewhere

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