Basic information
- CAS
91990-66-8- Standard SMILES
CCCCCCCC1=NNC(=O)C1CCCCCC- InChIKey
VKGWBSIXRRRLPD-UHFFFAOYSA-N- Molecular formula
- C16H30N2O
- Average molar mass
- 266.42 g/mol
- Monoisotopic mass
- 266.23581359
Names & identifiers
- Preferred name
- 5-heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 3-heptyl-4-hexyl-1,4-dihydropyrazol-5-one
- English name
- 5-heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-one
- Molecular formula
- C16H30N2O
- Molecular weight
- 266.4222
Names & synonyms
91990-66-85-Heptyl-4-hexyl-2,4-dihydro-3H-pyrazol-3-oneEINECS 295-249-7RefChem:102703295-249-73-Heptyl-4-hexyl-1H-pyrazol-5(4H)-oneSCHEMBL10455656DTXSID30919414VKGWBSIXRRRLPD-UHFFFAOYSA-N5-Heptyl-4-hexyl-4H-pyrazol-3-olNS00064356
Database identifiers
- CAS
91990-66-8- PubChem CID
- 3045293
- DTXSID
DTXSID30919414- EC Number
- 295-249-7
- Nikkaji
- J318.988K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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