chempirical

Methyl 1H-pyrazole-4-carboxylate

C5H6N2O2CAS 51105-90-9126.11 g/mol

Open in Covalent MOL file
OONHN
Ester

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
logP
0.20Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
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
51105-90-9
SMILES
COC(=O)C1=CNN=C1
InChIKey
VFTZKSMAJVLWOV-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-9-5(8)4-2-6-7-3-4/h2-3H,1H3,(H,6,7)

Weigh it out

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

Work with Methyl 1H-pyrazole-4-carboxylate

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 1H-pyrazole-4-carboxylate37622-90-562 % similar Methyl pyrimidine-5-carboxylate34253-01-555 % similar 1-(1H-Pyrazol-4-yl)-ethanone25016-16-453 % similar Dimethyl 3,5-pyridinedicarboxylate4591-55-353 % similar Dimethyl terephthalate120-61-652 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-452 % similar Methyl 2-chloropyrimidine-5-carboxylate287714-35-650 % similar Methyl 1H-indazole-6-carboxylate170487-40-849 % 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