1-Ethyl-4-iodo-3-isopropyl-1H-pyrazole

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Basic information

CAS: 1354705-60-4
Standard SMILES: CCn1cc(I)c(C(C)C)n1
InChIKey: SMZHPKIXWIYEST-UHFFFAOYSA-N
Molecular formula: C8H13IN2
Average molar mass: 264.11 g/mol
Monoisotopic mass: 264.01235

Names & identifiers

Preferred name: 1-Ethyl-4-iodo-3-isopropyl-1H-pyrazole
IUPAC: 1-ethyl-4-iodo-3-propan-2-ylpyrazole

Names & synonyms

1-Ethyl-4-iodo-3-isopropyl-1H-pyrazole1354705-60-4DTXSID401248136MFCD24539546SBB0740441-ethyl-4-iodo-3-isopropyl-pyrazoleAKOS0159208111-ethyl-4-iodo-3-propan-2-ylpyrazole1-ethyl-4-iodo-3-(methylethyl)pyrazoleCS-03376491-ethyl-4-iodo-3-(propan-2-yl)-1H-pyrazole1H-Pyrazole, 1-ethyl-4-iodo-3-(1-methylethyl)-

Database identifiers

CAS: 1354705-60-4
PubChem CID: 60136670
DTXSID: DTXSID401248136

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 127

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Compound notes

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