1-Butyl-4-iodo-3-methyl-1H-pyrazole
Basic information
- CAS
1354705-53-5- Standard SMILES
CCCCn1cc(I)c(C)n1- InChIKey
YEYLURRMWJZGFK-UHFFFAOYSA-N- Molecular formula
- C8H13IN2
- Average molar mass
- 264.11 g/mol
- Monoisotopic mass
- 264.01235
Names & identifiers
- Preferred name
- 1-Butyl-4-iodo-3-methyl-1H-pyrazole
- IUPAC
- 1-butyl-4-iodo-3-methylpyrazole
Names & synonyms
1-Butyl-4-iodo-3-methyl-1H-pyrazole1354705-53-51-butyl-4-iodo-3-methylpyrazoleSCHEMBL17247461DTXSID6012860471-butyl-4-iodo-3-methyl-pyrazoleMFCD24539544SBB074042AKOS0159208051H-Pyrazole, 1-butyl-4-iodo-3-methyl-CS-0337650
Database identifiers
- CAS
1354705-53-5- PubChem CID
- 60136668
- DTXSID
DTXSID601286047
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
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Compound notes
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