Dimethyl 1H-pyrazole-3,5-dicarboxylate

C₇H₈N₂O₄CAS 4077-76-3184.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈N₂O₄
Molar mass: 184.15 g/mol
Exact mass: 184.0484 Da
logP: -0.02Crippen estimate
Polar surface area: 81.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

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

4077-76-3

SMILES

COC(=O)C1=CC(=NN1)C(=O)OC

InChIKey

SIPQVJNEQSWAOK-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O4/c1-12-6(10)4-3-5(9-8-4)7(11)13-2/h3H,1-2H3,(H,8,9)

Weigh it out

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

Names and synonyms

1 names

3,5-Dimethyl 1H-pyrazole-3,5-dicarboxylate

Work with Dimethyl 1H-pyrazole-3,5-dicarboxylate

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

3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-458 % similar Methyl 6-oxo-1,6-dihydropyridazine-3-carboxylate63001-30-956 % similar Methyl 1H-pyrazole-3-carboxylate15366-34-451 % similar Methyl 1,2,3-triazole-4-carboxylate4967-77-551 % similar Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-647 % similar Methyl 1H-imidazole-5-carboxylate17325-26-747 % similar 2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate5371-70-047 % similar Methyl 2-pyrazinecarboxylate6164-79-047 % similar

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

Same formula

2,6-Dimethoxy-3-nitropyridine18677-41-3 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid20924-05-4 Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-8 4,5-Dimethyl 1H-imidazole-4,5-dicarboxylate3304-70-9 Ethyl 4-Nitropyrrole-2-carboxylate5930-92-7 2,6-Dimethoxypyrimidine-4-carboxylic acid59864-30-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook