chempirical

1,3-Dimethylpyrazole-5-carboxylic acid

C6H8N2O2CAS 5744-56-9140.14 g/mol

Open in Covalent MOL file
NNOOH
Carboxylic acid

Properties

Molecular formula
C6H8N2O2
Molar mass
140.14 g/mol
Exact mass
140.0586 Da
logP
0.43Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
5744-56-9
SMILES
CC1=NN(C(=C1)C(=O)O)C
InChIKey
QRWZFUBHOQWUGH-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c1-4-3-5(6(9)10)8(2)7-4/h3H,1-2H3,(H,9,10)

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Names and synonyms

1 names
  • 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid

Work with 1,3-Dimethylpyrazole-5-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

3-tert-Butyl-1-methyl-1H-pyrazole-5-carboxylic acid175277-11-961 % similar 1,3-Dimethyl-1H-pyrazole-5-carboxamide136678-93-860 % similar 1,3-Dimethyl-1H-pyrazole-5-carbonyl chloride55458-67-860 % similar 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid50920-65-559 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-056 % similar 1,3-Dimethyl-5-ethoxycarbonylpyrazole5744-40-153 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-251 % similar 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-150 % similar

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

Same formula

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-9 4,6-Diaminoresorcinol15791-87-4 Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-2 Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-1 3-Imidazol-1-yl-propionic acid18999-45-6 Ethyl imidazole-4-carboxylate23785-21-9 5,6-Dimethyluracil26305-13-5 Ethyl 1H-imidazole-2-carboxylate33543-78-1

Elsewhere

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