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

C6H8N2O2CAS 5744-59-2140.14 g/mol

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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

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate5744-51-453 % similar 1,3-Dimethylpyrazole-5-carboxylic acid5744-56-951 % similar 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-046 % similar 1-Methyl-1H-imidazole-4-carboxylic acid41716-18-146 % similar 1,3,5-Trimethylpyrazole1072-91-945 % similar 3-tert-Butyl-1-methyl-1H-pyrazole-5-carboxylic acid175277-11-945 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-744 % similar (1,5-Dimethyl-1H-pyrazol-3-yl)methanol153912-60-843 % 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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