chempirical

3-Amino-5-tert-butylpyrazole

C7H13N3CAS 82560-12-1139.20 g/mol

Open in Covalent MOL file
NHNHHN

Properties

Molecular formula
C7H13N3
Molar mass
139.20 g/mol
Exact mass
139.1109 Da
Melting point
80 °C
logP
1.12Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
0

Identifiers

CAS number
82560-12-1
SMILES
CC(C)(C)c1cc(=N)[nH][nH]1
InChIKey
ZHBXGHWSVIBUCQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N3/c1-7(2,3)5-4-6(8)10-9-5/h4H,1-3H3,(H3,8,9,10)

Weigh it out

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

Names and synonyms

12 names
  • 1H-Pyrazol-3-amine, 5-(1,1-dimethylethyl)-
  • 5-(1,1-Dimethylethyl)-1H-pyrazol-3-amine
  • 5-Amino-3-tert-butyl-1H-pyrazole
  • 3-tert-Butyl-5-aminopyrazole
  • 3-tert-Butyl-1H-pyrazol-3-amine
  • 5-Amino-3-tert-butylpyrazole
  • 5-tert-Butyl-1H-pyrazol-3-ylamine
  • 3-Amino-5-tert-butyl-1H-pyrazole
  • 5-tert-Butyl-1H-pyrazol-3-amine
  • 5-tert-Butylpyrazole-3-amine
  • 3-tert-Butyl-2H-pyrazol-5-amine
  • 5-(tert-Butyl)-3-aminopyrazole

Work with 3-Amino-5-tert-butylpyrazole

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

3-Amino-5-methylpyrazole31230-17-842 % similar 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine238742-83-135 % similar 1,3,5-Tri-tert-butylbenzene1460-02-233 % similar 2-(1,1-Dimethylethyl)-1H-indole1805-65-833 % similar 5-(4-Methylphenyl)-1H-pyrazol-3-amine78597-54-333 % similar 3-Amino-5-phenylpyrazole1572-10-732 % similar

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

Same formula

2-Methyl-1H-imidazole-1-propanamine2258-21-1 Triazabicyclodecene5807-14-7

Elsewhere

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