2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-amine

C₇H₁₃N₃CAS 62821-88-9139.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃N₃
Molar mass: 139.20 g/mol
Exact mass: 139.1109 Da
logP: 0.46Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

62821-88-9

SMILES

CC1=CC(=NN1CCN)C

InChIKey

FXLOXQBWUPCCDL-UHFFFAOYSA-N

InChI

InChI=1S/C7H13N3/c1-6-5-7(2)10(9-6)4-3-8/h5H,3-4,8H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

2-(3,5-Dimethyl-pyrazol-1-yl)-ethylamine

Work with 2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-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

3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine62821-89-083 % similar 1-(Hydroxymethyl)-3,5-dimethylpyrazole85264-33-158 % similar 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-449 % similar 1,3,5-Trimethylpyrazole1072-91-945 % similar 3,5-Dimethyl-1-phenylpyrazole1131-16-439 % similar (1,3-Dimethyl-1H-pyrazol-5-yl)methylamine499770-63-739 % similar 3,5-Dimethyl-1H-pyrazole-1-carboxamide934-48-537 % similar (1,5-Dimethyl-1H-pyrazol-3-yl)methanamine423768-52-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1H-imidazole-1-propanamine2258-21-1 3-(Piperazin-1-yl)propanenitrile34064-86-3 Triazabicyclodecene5807-14-7 3-Amino-5-tert-butylpyrazole82560-12-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook