chempirical

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid

C12H12N2O2CAS 61226-19-5216.24 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C12H12N2O2
Molar mass
216.24 g/mol
Exact mass
216.0899 Da
logP
2.19Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
61226-19-5
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O
InChIKey
LPYTYYLNGJGJGW-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O2/c1-8-11(12(15)16)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)

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Work with 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid

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

5-Methyl-1-phenylpyrazole-4-carboxylic acid91138-00-056 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-755 % similar 4-Methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid22300-56-753 % similar 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde22042-79-151 % similar 4,6-Dimethyl-5-pyrimidinecarboxylic acid157335-93-846 % similar 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-744 % similar 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-742 % similar 1-Phenyl-5-propyl-1H-pyrazole-4-carboxylic acid116344-17-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,4'-Bis(hydroxymethyl)-2,2'-bipyridine109073-77-0 4,4'-Dimethoxy-2,2'-bipyridyl17217-57-1 3,3′-Dihydroxy-4,4′-diaminobiphenyl2373-98-0 2-(1-Naphthyloxy)acetohydrazide24310-15-4 2-(3,5-Dimethyl-1H-pyrazol-4-yl)benzoic acid321309-43-7 2,2′-(1,3-Phenylene)bis(2-oxazoline)34052-90-9 Lycoperodine-142438-90-4 2,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrrole5044-22-4

Elsewhere

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