1,3,5-Trimethyl-1H-pyrazol-4-amine

C₆H₁₁N₃CAS 28466-21-9125.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₁N₃
Molar mass: 125.17 g/mol
Exact mass: 125.0953 Da
Melting point: 103–105 °C
logP: 0.62Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

28466-21-9

SMILES

Cc1nn(C)c(C)c1N

InChIKey

SSDGMKHZMNTWLS-UHFFFAOYSA-N

InChI

InChI=1S/C6H11N3/c1-4-6(7)5(2)9(3)8-4/h7H2,1-3H3

Weigh it out

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

Names and synonyms

7 names

1H-Pyrazol-4-amine, 1,3,5-trimethyl-
Pyrazole, 4-amino-1,3,5-trimethyl-
4-Amino-1,3,5-trimethylpyrazole
1,3,5-Trimethyl-4-pyrazolamine
(1,3,5-Trimethyl-1H-pyrazol-4-yl)amine
4-Amino-2,3,5-trimethyl-2H-pyrazole
4-Amino-1,3,5-trimethyl-1H-pyrazole

Work with 1,3,5-Trimethyl-1H-pyrazol-4-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

4-Bromo-1,3,5-trimethylpyrazole15801-69-154 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde2644-93-147 % similar 1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride59340-27-144 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-743 % similar 1,3,5-Trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole844891-04-941 % similar 2,3-Dimethyl-2H-indazol-6-amine444731-72-038 % similar 2,3-Dimethyl-2H-indazol-6-amine hydrochloride635702-60-235 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Isopropyl-1H-pyrazol-3-amine151521-49-2 (1,5-Dimethyl-1H-pyrazol-3-yl)methanamine423768-52-9 (1,3-Dimethyl-1H-pyrazol-5-yl)methylamine499770-63-7 1H-Imidazole-1-propanamine5036-48-6

Elsewhere

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