Methyl 4-iodo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylate
Basic information
- CAS
1354703-82-4- Standard SMILES
COC(=O)c1c(I)c(C(C)C)nn1C- InChIKey
HTPNPNRWIBNBLM-UHFFFAOYSA-N- Molecular formula
- C9H13IN2O2
- Average molar mass
- 308.12 g/mol
- Monoisotopic mass
- 308.00218
Names & identifiers
- Preferred name
- Methyl 4-iodo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylate
- IUPAC
- methyl 4-iodo-1-methyl-3-propan-2-ylpyrazole-5-carboxylate
Names & synonyms
1354703-82-4Methyl 4-iodo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylatemethyl 4-iodo-1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carboxylateMethyl4-iodo-3-isopropyl-1-methyl-1H-pyrazole-5-carboxylateMFCD24539634DTXSID201136541SBB074157STL584558AKOS015920957CS-0273895EN300-232791methyl 4-iodo-2-methyl-5-propan-2-ylpyrazole-3-carboxylate
Show more names
methyl 4-iodo-1-methyl-3-(methylethyl)pyrazole-5-carboxylate1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl-3-(1-methylethyl)-, methyl ester
Database identifiers
- CAS
1354703-82-4- PubChem CID
- 60136768
- DTXSID
DTXSID201136541
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
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Compound notes
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