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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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

1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-054 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-850 % similar Methyl 1-methylpyrrole-2-carboxylate37619-24-249 % similar Methyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate92406-53-648 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-546 % similar Methyl picolinate2459-07-646 % similar Pyrimidine-4-carboxylic acid methyl ester2450-08-045 % similar Methyl pyridazine-3-carboxylate34253-02-645 % 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 Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-2 3-Imidazol-1-yl-propionic acid18999-45-6 Ethyl imidazole-4-carboxylate23785-21-9 5,6-Dimethyluracil26305-13-5 Ethyl 1H-imidazole-2-carboxylate33543-78-1 2,4-Dimethoxypyrimidine3551-55-1

Elsewhere

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