chempirical

1-Methyl-1H-pyrazole-4-carboxylic acid

C5H6N2O2CAS 5952-92-1126.11 g/mol

Open in Covalent MOL file
NNOHO
Carboxylic acid

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
logP
0.12Crippen 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
5952-92-1
SMILES
CN1C=C(C=N1)C(=O)O
InChIKey
UPPPWUOZCSMDTR-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9)

Weigh it out

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

Work with 1-Methyl-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

1-Phenyl-1H-pyrazole-4-carboxylic acid1134-50-551 % similar Ethyl 1-methyl-1H-pyrazole-4-carboxylate85290-80-850 % similar 2-Methylpyrazolo(1,5-a)pyrimidine-6-carboxylic acid739364-95-548 % similar 1H-Pyrazole-4-carboxylicacid,1,3-dimethyl-(9ci)78703-53-446 % similar 5-Pyrimidinecarboxylic acid4595-61-345 % similar 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid84547-86-445 % similar 2-Methylpyrimidine-5-carboxylic acid5194-32-144 % similar Dinicotinic acid499-81-044 % similar

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

Same formula

Methyl 1H-pyrazole-3-carboxylate15366-34-4 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-1 Methyl 1H-imidazole-5-carboxylate17325-26-7 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-0 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook