chempirical

5-(4-Methylphenyl)-1H-pyrazol-3-amine

C10H11N3CAS 78597-54-3173.22 g/mol

Open in Covalent MOL file
NHNHHN

Properties

Molecular formula
C10H11N3
Molar mass
173.22 g/mol
Exact mass
173.0953 Da
Melting point
145–147 °C
logP
1.80Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
1

Identifiers

CAS number
78597-54-3
SMILES
Cc1ccc(-c2cc(=N)[nH][nH]2)cc1
InChIKey
GVPFRVKDBZWRCZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)

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Names and synonyms

8 names
  • 1H-Pyrazol-3-amine, 5-(4-methylphenyl)-
  • 3-Amino-5-(4-methylphenyl)pyrazole
  • 3-Amino-5-(p-tolyl)pyrazole
  • 5-Amino-3-(4-methylphenyl)-1H-pyrazole
  • 3-(4-Methylphenyl)-5-amino-1H-pyrazole
  • 5-(p-Tolyl)-1H-pyrazol-3-amine
  • 1H-Pyrazol-3-amine 5-(4-methylphenyl)-
  • 3-Amino-5-(4-methylphenyl)-1H-pyrazole

Work with 5-(4-Methylphenyl)-1H-pyrazol-3-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-Amino-5-phenylpyrazole1572-10-761 % similar 5-(4-Fluorophenyl)-1H-pyrazol-3-amine72411-52-060 % similar 5-(4-Bromophenyl)-1H-pyrazol-3-amine78583-82-160 % similar 2-Amino-5-methylpyridine1603-41-442 % similar 3-Amino-5-methylpyrazole31230-17-841 % similar 2-Amino-4-methylpyridine695-34-140 % similar 4-Methylbiphenyl644-08-638 % similar P-Xylene106-42-338 % 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

Elsewhere

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