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[4-[3-[4-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol (HCID 59321990)|Huagongshe
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Compound
[4-[3-[4-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
HCID
59321990
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Basic information
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Basic information
Standard SMILES
CCn1cc(CN2CCN(c3nccnc3-c3ccc(CO)cc3)CC2)c(C)n1
InChIKey
FYVMZCODFBEPCA-UHFFFAOYSA-N
Molecular formula
C22H28N6O
Average molar mass
392.5 g/mol
Monoisotopic mass
392.23245954
Names & identifiers
Preferred name
[4-[3-[4-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
IUPAC
[4-[3-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol
Names & synonyms
SCHEMBL9961813
Database identifiers
PubChem CID
59321990
Properties
Computed structural properties
XLogP
1.3
Topological polar surface area
70.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
492
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Related reactions
1 records
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As solvent
HRID
1565501
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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