chempirical

Methyl 1-methyl-1H-pyrazole-3-carboxylate

C6H8N2O2CAS 17827-61-1140.14 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C6H8N2O2
Molar mass
140.14 g/mol
Exact mass
140.0586 Da
Boiling point
108–110 °C (at 1 Torr)
logP
0.21Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
17827-61-1
SMILES
COC(=O)c1ccn(C)n1
InChIKey
WUUOFOYBXXQAGD-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c1-8-4-3-5(7-8)6(9)10-2/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 1H-Pyrazole-3-carboxylic acid, 1-methyl-, methyl ester
  • Pyrazole-3-carboxylic acid, 1-methyl-, methyl ester
  • 1-Methyl-1H-Pyrazole-3-carboxylic acid methyl ester

Work with Methyl 1-methyl-1H-pyrazole-3-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

Dimethyl 2,6-pyridinedicarboxylate5453-67-850 % similar Methyl picolinate2459-07-646 % similar Dimethyl terephthalate120-61-644 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-444 % similar Methyl 3-thiophenecarboxylate22913-26-443 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-443 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-543 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-743 % 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 5,6-Dimethyluracil26305-13-5 Ethyl 1H-pyrazole-4-carboxylate37622-90-5 5-Ethyl-2,4(1H,3H)-pyrimidinedione4212-49-1 Tetramethylene diisocyanate4538-37-8 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-2 Gaboxadol64603-91-4

Elsewhere

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