Methyl 4-nitro-1H-pyrazole-5-carboxylate
Properties
- Molecular formula
- C5H5N3O4
- Molar mass
- 171.11 g/mol
- Exact mass
- 171.0280 Da
- logP
- 0.10Crippen estimate
- Polar surface area
- 98.1 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
138786-86-4SMILES
COC(=O)C1=C(C=NN1)[N+](=O)[O-]InChIKey
ARAFBUCGMOKZMI-UHFFFAOYSA-NInChI
InChI=1S/C5H5N3O4/c1-12-5(9)4-3(8(10)11)2-6-7-4/h2H,1H3,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1H-Pyrazole-3-carboxylic acid, 4-nitro-, methyl ester
Work with Methyl 4-nitro-1H-pyrazole-5-carboxylate
Similar compounds
4-Nitro-1H-pyrazole-3-carboxylic acid5334-40-759 % similar
1H-Pyrazole-3-carboxylicacid,4-amino-,methylester(9ci)360056-45-754 % similar
Methyl 4-bromo-1H-pyrazole-3-carboxylate81190-89-854 % similar
Methyl 2-nitrobenzoate606-27-951 % similar
Methyl 6-chloro-5-nitro-3-pyridinecarboxylate59237-53-550 % similar
Methyl 4-nitrobenzoate619-50-150 % similar
Methyl 4-amino-5-nitro-2-pyridinecarboxylate850544-21-750 % similar
Dimethyl 3-nitrophthalate13365-26-948 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.