chempirical

1-Methyl-1H-pyrazole-5-carboxylic acid

C5H6N2O2CAS 16034-46-1126.11 g/mol

Open in Covalent MOL file
NNOOH
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

Identifiers

CAS number
16034-46-1
SMILES
CN1C(=CC=N1)C(=O)O
InChIKey
JREJQAWGQCMSIY-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-7-4(5(8)9)2-3-6-7/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-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-Methyl-1H-pyrrole-2-carboxylic acid6973-60-046 % similar 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid139755-99-044 % similar 1-Methyl-1H-pyrazol-5-ol33641-15-544 % similar 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-242 % similar 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid119083-00-041 % similar 1-Methyl-1H-indole-2-carboxylic acid16136-58-641 % similar 1,5-Dimethylpyrazole694-31-541 % similar Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-340 % 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-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9 2-Methyl-4,6-pyrimidinedione40497-30-1 1,2-Dihydro-1-methyl-3,6-pyridazinedione5436-01-1 1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook