chempirical

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

C6H8N2O2CAS 89831-40-3140.14 g/mol

Open in Covalent MOL file
NHNOHO
Carboxylic acid

Properties

Molecular formula
C6H8N2O2
Molar mass
140.14 g/mol
Exact mass
140.0586 Da
logP
0.72Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 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
89831-40-3
SMILES
CC1=C(NN=C1C(=O)O)C
InChIKey
URZZLPLGTZFNST-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c1-3-4(2)7-8-5(3)6(9)10/h1-2H3,(H,7,8)(H,9,10)

Weigh it out

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

Work with 3,4-Dimethyl-1H-pyrazole-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

1,2,3-Triazole-4,5-dicarboxylic acid4546-95-647 % similar Indazole-3-carboxylic acid4498-67-346 % similar 3-Methyl-1H-pyrazole-4-carboxylic acid40704-11-844 % similar 5-Methyl-1H-indazole-3-carboxylic acid1201-24-744 % similar 4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid6076-13-742 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-942 % similar 2-(3,5-Dimethyl-1H-pyrazol-4-yl)benzoic acid321309-43-741 % similar 6-Methoxy-1H-indazole-3-carboxylic acid518990-36-841 % 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

PubChem CAS Common Chemistry NIST WebBook