5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine

C13H17N3CAS 126208-61-5215.30 g/mol

Open in Covalent MOL file
NNNH2
Primary amine

Properties

Molecular formula
C13H17N3
Molar mass
215.30 g/mol
Exact mass
215.1422 Da
logP
2.75Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
126208-61-5
SMILES
CC(C)(C)C1=NN(C(=C1)N)C2=CC=CC=C2
InChIKey
GFWSTBBSSBVVQP-UHFFFAOYSA-N
InChI
InChI=1S/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3

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Names and synonyms

1 names
  • 3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine

Work with 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine

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-Amino-3-methyl-1-phenylpyrazole1131-18-658 % similar 1,3-Diphenyl-1H-pyrazol-5-amine5356-71-854 % similar 3-(1,1-Dimethylethyl)-1-methyl-1H-pyrazol-5-amine118430-73-253 % similar 3-Cyclopropyl-1-phenyl-1H-pyrazol-5-amine175137-45-850 % similar 3,5-Bis(trifluoromethyl)-1-phenylpyrazole140647-19-441 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-438 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-537 % similar 5-Amino-1-methyl-3-phenylpyrazole10199-50-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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