(4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone

C15H16BrClN4O — CID 95754580

IUPAC(4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESCn1ncc(Br)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16BrClN4O/c1-19-14(13(16)10-18-19)15(22)21-8-6-20(7-9-21)12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeySONVDNYWPRDHMQ-UHFFFAOYSA-N
MW383.68 g/mol
LogP2.80
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone

(4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 95754580) has the molecular formula C15H16BrClN4O and a molecular weight of 383.68 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
PubChem CID95754580
Molecular FormulaC15H16BrClN4O
Molecular Weight383.68 g/mol
Exact Mass382.02
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESCn1ncc(Br)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16BrClN4O/c1-19-14(13(16)10-18-19)15(22)21-8-6-20(7-9-21)12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3
InChIKeySONVDNYWPRDHMQ-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.68
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]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-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754607
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754507
(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754590
1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55770613
2-bromo-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 15786018
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
(4-chloro-1-methylpyrazol-5-yl)-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 17126686
[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 95754518
2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4672455
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone (CID 95754580) is (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone is Cn1ncc(Br)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is SONVDNYWPRDHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O/c1-19-14(13(16)10-18-19)15(22)21-8-6-20(7-9-21)12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
(4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 383.68 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95754580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).