1,3-Dimethyl-1H-pyrazol-5-amine

C5H9N3CAS 3524-32-1111.15 g/mol

Open in Covalent MOL file
NH2NN
Primary amine

Properties

Molecular formula
C5H9N3
Molar mass
111.15 g/mol
Exact mass
111.0796 Da
Melting point
78–79 °C
Boiling point
121–123 °C (at 9 Torr)
logP
0.31Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3524-32-1
SMILES
Cc1cc(N)n(C)n1
InChIKey
ZFDGMMZLXSFNFU-UHFFFAOYSA-N
InChI
InChI=1S/C5H9N3/c1-4-3-5(6)8(2)7-4/h3H,6H2,1-2H3

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Names and synonyms

11 names
  • 1H-Pyrazol-5-amine, 1,3-dimethyl-
  • Pyrazole, 5-amino-1,3-dimethyl-
  • 5-Amino-1,3-dimethylpyrazole
  • 5-Amino-1,3-dimethyl-1H-pyrazole
  • 1,3-Dimethyl-5-aminopyrazole
  • 1,3-Dimethyl-5-pyrazolamine
  • 1,3-Dimethyl-5-amino-1H-pyrazole
  • 2,5-Dimethyl-2H-pyrazol-3-ylamine
  • 3-Amino-2,5-dimethyl-2H-pyrazole
  • (1,3-Dimethyl-1H-pyrazol-5-yl)amine
  • 2,5-Dimethylpyrazol-3-amine

Work with 1,3-Dimethyl-1H-pyrazol-5-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-Trimethylpyrazole1072-91-956 % similar 5-Amino-3-methyl-1-phenylpyrazole1131-18-653 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-352 % similar 5-Bromo-1,3-dimethyl-1H-pyrazole5744-70-752 % similar 3-(1,1-Dimethylethyl)-1-methyl-1H-pyrazol-5-amine118430-73-252 % similar (1,3-Dimethyl-1H-pyrazol-5-yl)methylamine499770-63-752 % similar 3-Cyclopropyl-1-methyl-1H-pyrazol-5-amine118430-74-350 % similar 5-Amino-1-methyl-3-phenylpyrazole10199-50-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Pyrazol-1-ylethylamin101395-71-5 5-Amino-3-ethyl-1H-pyrazole1904-24-1 5-Amino-1-ethylpyrazole3528-58-3 (1-Methyl-1H-imidazol-4-yl)methanamine486414-83-9 1-Methyl-5-aminomethylimidazole486414-86-2 Histamine51-45-6 1,3-Dimethyl-1H-pyrazol-4-amine64517-88-0 1-Ethyl-1H-pyrazol-4-amine876343-24-7

Elsewhere

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