chempirical

1,3,5-Trimethyl-1H-pyrazol-4-amine

C6H11N3CAS 28466-21-9125.17 g/mol

Open in Covalent MOL file
NNH2N
Primary amine

Properties

Molecular formula
C6H11N3
Molar mass
125.17 g/mol
Exact mass
125.0953 Da
Melting point
103–105 °C
logP
0.62Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
28466-21-9
SMILES
Cc1nn(C)c(C)c1N
InChIKey
SSDGMKHZMNTWLS-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N3/c1-4-6(7)5(2)9(3)8-4/h7H2,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • 1H-Pyrazol-4-amine, 1,3,5-trimethyl-
  • Pyrazole, 4-amino-1,3,5-trimethyl-
  • 4-Amino-1,3,5-trimethylpyrazole
  • 1,3,5-Trimethyl-4-pyrazolamine
  • (1,3,5-Trimethyl-1H-pyrazol-4-yl)amine
  • 4-Amino-2,3,5-trimethyl-2H-pyrazole
  • 4-Amino-1,3,5-trimethyl-1H-pyrazole

Work with 1,3,5-Trimethyl-1H-pyrazol-4-amine

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

1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride59340-27-144 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-743 % similar 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole844891-04-941 % similar 2,3-Dimethyl-2H-indazol-6-amine444731-72-038 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-133 % similar

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

Same formula

4-Isopropyl-1H-pyrazol-3-amine151521-49-2 1H-Imidazole-1-propanamine5036-48-6

Elsewhere

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