[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

C21H20BrClN4O — CID 95754507

IUPAC[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20BrClN4O/c22-18-13-24-27(15-18)14-16-1-3-17(4-2-16)21(28)26-11-9-25(10-12-26)20-7-5-19(23)6-8-20/h1-8,13,15H,9-12,14H2
InChIKeyRPSSYNZSZOFYMB-UHFFFAOYSA-N
MW459.78 g/mol
LogP4.31
Rot. Bonds4

About [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 95754507) has the molecular formula C21H20BrClN4O and a molecular weight of 459.78 g/mol. Its IUPAC name is [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
PubChem CID95754507
Molecular FormulaC21H20BrClN4O
Molecular Weight459.78 g/mol
Exact Mass458.05
IUPAC Name[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20BrClN4O/c22-18-13-24-27(15-18)14-16-1-3-17(4-2-16)21(28)26-11-9-25(10-12-26)20-7-5-19(23)6-8-20/h1-8,13,15H,9-12,14H2
InChIKeyRPSSYNZSZOFYMB-UHFFFAOYSA-N
XLogP4.31
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.78
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35323460
1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
CID 35524429
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 45147653
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 19325394
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
(4-benzylpiperazin-1-yl)-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]methanone
CID 19290845
(4-chlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331488
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55770613
[4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46438437
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 94826197

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (CID 95754507) is [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(Cn2cc(Br)cn2)cc1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is RPSSYNZSZOFYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN4O/c22-18-13-24-27(15-18)14-16-1-3-17(4-2-16)21(28)26-11-9-25(10-12-26)20-7-5-19(23)6-8-20/h1-8,13,15H,9-12,14H2.
What are the key properties of [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 459.78 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95754507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).