(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone

C22H23BrN4O — CID 19290845

IUPAC(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
SMILESO=C(c1cccc(Cn2cc(Br)cn2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23BrN4O/c23-21-14-24-27(17-21)16-19-7-4-8-20(13-19)22(28)26-11-9-25(10-12-26)15-18-5-2-1-3-6-18/h1-8,13-14,17H,9-12,15-16H2
InChIKeySHDOBTVKHKUXHJ-UHFFFAOYSA-N
MW439.36 g/mol
LogP3.65
Rot. Bonds5

About (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone

(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone (PubChem CID 19290845) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
PubChem CID19290845
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC Name(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
SMILESO=C(c1cccc(Cn2cc(Br)cn2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23BrN4O/c23-21-14-24-27(17-21)16-19-7-4-8-20(13-19)22(28)26-11-9-25(10-12-26)15-18-5-2-1-3-6-18/h1-8,13-14,17H,9-12,15-16H2
InChIKeySHDOBTVKHKUXHJ-UHFFFAOYSA-N
XLogP3.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzyl-1,4-diazepan-1-yl)-(3-bromophenyl)methanone
CID 23765712
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
(4-benzylpiperazin-1-yl)-[3-[(3-bromophenoxy)methyl]phenyl]methanone
CID 19289234
(1-benzylpyrazol-4-yl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 9474985
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
2-(4-bromopyrazol-1-yl)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 19527807
3-[[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 122028664
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754507
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone (CID 19290845) is (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone is O=C(c1cccc(Cn2cc(Br)cn2)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone?
The InChIKey is SHDOBTVKHKUXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c23-21-14-24-27(17-21)16-19-7-4-8-20(13-19)22(28)26-11-9-25(10-12-26)15-18-5-2-1-3-6-18/h1-8,13-14,17H,9-12,15-16H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone?
(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone has a molecular weight of 439.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 19290845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).