2-Pyrazoline, 3-ethyl-1-isopropyl-
Basic information
- CAS
18631-72-6- Standard SMILES
CCC1=NN(C(C)C)CC1- InChIKey
UMSXSCVFMDGXJU-UHFFFAOYSA-N- Molecular formula
- C8H16N2
- Average molar mass
- 140.23 g/mol
- Monoisotopic mass
- 140.13134852
Names & identifiers
- Preferred name
- 2-Pyrazoline, 3-ethyl-1-isopropyl-
- IUPAC
- 5-ethyl-2-propan-2-yl-3,4-dihydropyrazole
- English name
- 3-Ethyl-1-isopropyl-2-pyrazoline
- Molecular weight
- 0
Names & synonyms
3-Ethyl-1-isopropyl-2-pyrazoline18631-72-62-Pyrazoline, 3-ethyl-1-isopropyl-5-ethyl-2-propan-2-yl-3,4-dihydropyrazoleUMSXSCVFMDGXJU-UHFFFAOYSA-NDTXSID5013474043-Ethyl-1-isopropyl-.DELTA.[2]-pyrazoline3-Ethyl-1-isopropyl-4,5-dihydro-1H-pyrazole #Q63395258
Database identifiers
- CAS
18631-72-6- PubChem CID
- 580445
- DTXSID
DTXSID501347404- Nikkaji
- J46.511I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
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Related reactions
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Compound notes
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