5-Amino-3-methyl-4-phenylpyrazole

C₁₀H₁₁N₃CAS 60419-81-0173.22 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₀H₁₁N₃
Molar mass: 173.22 g/mol
Exact mass: 173.0953 Da
logP: 1.97Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

60419-81-0

SMILES

CC1=C(C(=NN1)N)C2=CC=CC=C2

InChIKey

UMDNRKCXSUJMCY-UHFFFAOYSA-N

InChI

InChI=1S/C10H11N3/c1-7-9(10(11)13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13)

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Names and synonyms

1 names

5-Methyl-4-phenyl-2H-pyrazol-3-ylamine

Work with 5-Amino-3-methyl-4-phenylpyrazole

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-3-phenyl-1H-pyrazol-5-amine2845-78-546 % similar 5-Amino-4-bromo-3-methylpyrazole hydrobromide167683-86-541 % similar 3-Methyl-1H-indazole3176-62-340 % similar 3-Methyl-5-phenylpyrazole3347-62-438 % similar 4-Phenyl-1H-pyrazol-5-amine57999-06-138 % similar 3-Amino-5-phenylpyrazole827-41-838 % similar 5-Methyl-3,4-diphenyl-isoxazole37928-17-937 % similar Hexaphenylbenzene992-04-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Amino-1-methyl-3-phenylpyrazole10199-50-5 5-Amino-3-methyl-1-phenylpyrazole1131-18-6 4-(1H-Pyrazol-1-ylmethyl)aniline142335-61-3 2-Amino-5,7-dimethyl-1,8-naphthyridine39565-07-6 5-(4-Methylphenyl)-1H-pyrazol-3-amine78597-54-3

Elsewhere

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