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Basic information
- CAS
69982-17-8- Standard SMILES
CCc1n[nH]c(CC)c1CCCCCCOc1ccc(OC)cc1Cl- InChIKey
ABAXWMATQNAOLI-UHFFFAOYSA-N- Molecular formula
- C20H29ClN2O2
- Average molar mass
- 364.9 g/mol
- Monoisotopic mass
- 364.1917559
Names & identifiers
- Preferred name
- 4-(6-(2-Chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1H-pyrazole
- IUPAC
- 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazole
Names & synonyms
4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-1H-pyrazoleECQ4LA3ZWD4-(6-(2-Chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1H-pyrazole69982-17-8Win-41258DTXSID00990230Win 41258-3Win-41258-31H-Pyrazole, 4-(6-(2-chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1H-Pyrazole, 4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-diethyl-RefChem:912223DTXCID80205930
Show more names
NSC 37223869982-46-3NSC372238CHEMBL348937SCHEMBL11393536ABAXWMATQNAOLI-UHFFFAOYSA-N4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1H-pyrazole4-(6-(2-Chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1H-pyrazole methane sulfonate
Database identifiers
- CAS
69982-17-8、69982-46-3- PubChem CID
- 155447
- DTXSID
DTXSID00990230- ChEMBL
CHEMBL348937- UNII
- ECQ4LA3ZWD
- Nikkaji
- J389.152F
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 359
Related reactions
10 records
Compound notes
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