Basic information
- Standard SMILES
Cc1nn(C)c(C)c1C(=O)NC/C=C\COc1cc(CN2CCCCC2)ccn1- InChIKey
VSOKLPHEEXMQDZ-YVMONPNESA-N- Molecular formula
- C22H31N5O2
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- 1,3,5-Trimethyl-N-[4-(4-piperidinomethyl-2-pyridyloxy)-cis-2-butenyl]pyrazole-4-carboxamide
- IUPAC
- 1,3,5-trimethyl-N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]pyrazole-4-carboxamide
Names & synonyms
SCHEMBL8919890VSOKLPHEEXMQDZ-YVMONPNESA-N1,3,5-Trimethyl-N-[4-(4-piperidinomethyl-2-pyridyloxy) -cis-2-butenyl]pyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 67725941
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 537
Related reactions
1 records
Compound notes
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