4-(1H-Pyrazol-1-ylmethyl)aniline

C₁₀H₁₁N₃CAS 142335-61-3173.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₁N₃
Molar mass: 173.22 g/mol
Exact mass: 173.0953 Da
logP: 1.51Crippen estimate
Polar surface area: 43.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

142335-61-3

SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)N

InChIKey

ISRYTHBRUSOVAB-UHFFFAOYSA-N

InChI

InChI=1S/C10H11N3/c11-10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8,11H2

Weigh it out

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

Work with 4-(1H-Pyrazol-1-ylmethyl)aniline

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

4,4′-Ethylenedianiline621-95-441 % similar 4,4'-Methylenedianiline101-77-940 % similar 4-Benzylaniline1135-12-239 % similar 4-Aminobenzylamine4403-71-838 % similar 4-Amino-N-methylbenzenemethanamine38020-69-837 % similar 2-(4-Aminophenyl)ethylamine13472-00-936 % similar 4-Ethylaniline589-16-236 % similar 4-Aminobenzyl alcohol623-04-136 % 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 2-Amino-5,7-dimethyl-1,8-naphthyridine39565-07-6 5-(4-Methylphenyl)-1H-pyrazol-3-amine78597-54-3

Elsewhere

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