1-t-Butyl-3-{2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethyl}aminomethyl-5-(4-methylphenyl)pyrazole

HCID 68974445
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Basic information

Standard SMILES
Cc1ccc(-c2cc(CNCCN3CCN(C(c4ccccc4)c4ccc(Cl)cc4)CC3)nn2C(C)(C)C)cc1
InChIKey
QMVMNRMSSFDWRG-UHFFFAOYSA-N
Molecular formula
C34H42ClN5
Average molar mass
556.2 g/mol
Monoisotopic mass
555.3128741

Names & identifiers

Preferred name
1-t-Butyl-3-{2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethyl}aminomethyl-5-(4-methylphenyl)pyrazole
IUPAC
N-[[1-tert-butyl-5-(4-methylphenyl)pyrazol-3-yl]methyl]-2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanamine

Names & synonyms

SCHEMBL4248952QMVMNRMSSFDWRG-UHFFFAOYSA-N1-t-butyl-3-{2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethyl}aminomethyl-5-(4-methylphenyl)pyrazole

Database identifiers

PubChem CID
68974445

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
36.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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