Basic information
- CAS
1291275-81-4- Standard SMILES
COC(=O)c1n[nH]c(C2CC2)c1I- InChIKey
OFGGYNMCCTWFFC-UHFFFAOYSA-N- Molecular formula
- C8H9IN2O2
- Average molar mass
- 292.07 g/mol
- Monoisotopic mass
- 291.97088
Names & identifiers
- Preferred name
- Methyl 3-cyclopropyl-4-iodo-1H-pyrazole-5-carboxylate
- IUPAC
- methyl 5-cyclopropyl-4-iodo-1H-pyrazole-3-carboxylate
Names & synonyms
1291275-81-4Methyl 3-cyclopropyl-4-iodo-1H-pyrazole-5-carboxylatemethyl 5-cyclopropyl-4-iodo-1H-pyrazole-3-carboxylateMethyl3-cyclopropyl-4-iodo-1H-pyrazole-5-carboxylateDTXSID801166073SBB073976AKOS011067937AKOS015920895methyl 3-cyclopropyl-4-iodopyrazole-5-carboxylate1H-Pyrazole-3-carboxylic acid, 5-cyclopropyl-4-iodo-, methyl ester
Database identifiers
- CAS
1291275-81-4- PubChem CID
- 60136615
- DTXSID
DTXSID801166073
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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