chempirical

3-(1,1-Dimethylethyl)-1-methyl-1H-pyrazol-5-amine

C8H15N3CAS 118430-73-2153.23 g/mol

Open in Covalent MOL file
NNH2N
Primary amine

Properties

Molecular formula
C8H15N3
Molar mass
153.23 g/mol
Exact mass
153.1266 Da
Melting point
156–157 °C
logP
1.30Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
118430-73-2
SMILES
Cn1nc(C(C)(C)C)cc1N
InChIKey
XSCDSAMVQLKDNI-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N3/c1-8(2,3)6-5-7(9)11(4)10-6/h5H,9H2,1-4H3

Weigh it out

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

Names and synonyms

6 names
  • 1H-Pyrazol-5-amine, 3-(1,1-dimethylethyl)-1-methyl-
  • 5-Amino-3-tert-butyl-1-methylpyrazole
  • 3-Amino-5-tert-butyl-1-methylisoxazole
  • 5-Amino-1-methyl-3-tert-butylpyrazole
  • (5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)amine
  • 3-tert-Butyl-1-methyl-1H-pyrazol-5-amine

Work with 3-(1,1-Dimethylethyl)-1-methyl-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

5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine126208-61-553 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-152 % similar 3-Cyclopropyl-1-methyl-1H-pyrazol-5-amine118430-74-346 % similar 5-Amino-1-methyl-3-phenylpyrazole10199-50-544 % similar 1-Methyl-1H-pyrazol-5-amine1192-21-836 % similar 4-[6-(1,1-Dimethylethyl)-3H-pyrazolo[1,5-B][1,2,4]triazol-2-yl]benzenamine152828-25-636 % similar 2,4,6-Tri-tert-butylpyrimidine67490-21-534 % similar 2,6-Di-tert-butylpyridine585-48-831 % similar

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

Same formula

3,5-Dimethyl-1H-pyrazole-1-propanamine62821-89-0 7-Methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene84030-20-6

Elsewhere

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