chempirical

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

C6H8N2O2CAS 5744-59-2140.14 g/mol

Open in Covalent MOL file
OOHNN
Carboxylic acid

Properties

Molecular formula
C6H8N2O2
Molar mass
140.14 g/mol
Exact mass
140.0586 Da
Melting point
176–178 °C
logP
0.43Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
5744-59-2
SMILES
Cc1cc(C(=O)O)nn1C
InChIKey
PXRXGHUTKHXUGF-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c1-4-3-5(6(9)10)7-8(4)2/h3H,1-2H3,(H,9,10)

Weigh it out

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

Names and synonyms

3 names
  • 1H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-
  • Pyrazole-3-carboxylic acid, 1,5-dimethyl-
  • 1,5-Dimethyl-3-pyrazolecarboxylic acid

Work with 1,5-Dimethyl-1H-pyrazole-3-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

1,3,5-Trimethylpyrazole1072-91-945 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-744 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-943 % similar 5-Methyl-3-isoxazolecarboxylic acid3405-77-442 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-042 % similar Pyrazolo[1,5-A]pyridine-2-carboxylic acid63237-88-741 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-139 % similar 2,5-Pyrazinedicarboxylic acid122-05-439 % 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-pyrazole-3-carboxylate17827-61-1 5,6-Dimethyluracil26305-13-5 Ethyl 1H-pyrazole-4-carboxylate37622-90-5 5-Ethyl-2,4(1H,3H)-pyrimidinedione4212-49-1 Tetramethylene diisocyanate4538-37-8 Gaboxadol64603-91-4

Elsewhere

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