Basic information
- CAS
134619-54-8- Standard SMILES
CCCCN(C(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C)C1C2CC3CC(C2)CC1C3- InChIKey
HPMMRLGHBHBDGJ-UHFFFAOYSA-N- Molecular formula
- C31H37N3O
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.29366281
Names & identifiers
- Preferred name
- 1H-Pyrazole-4-carboxamide, N-butyl-1,3-diphenyl-5-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-
- IUPAC
- N-(2-adamantyl)-N-butyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide
Names & synonyms
134619-54-81H-Pyrazole-4-carboxamide, N-butyl-1,3-diphenyl-5-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-N-Butyl-1,3-diphenyl-5-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-1H-pyrazole-4-carboxamideN-(Adamant-2-yl)-N-butyl-5-methylpyrazole-4-carboxamideDTXSID60158834RefChem:240005DTXCID2081325N-(ADAMANTAN-2-YL)-N-BUTYL-5-METHYL-1,3-DIPHENYL-1H-PYRAZOLE-4-CARBOXAMIDE
Database identifiers
- CAS
134619-54-8- PubChem CID
- 64624
- DTXSID
DTXSID60158834- Nikkaji
- J419.143I
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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