[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

C16H19BrN4O3S — CID 78904621

IUPAC[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n(C)n1
InChIInChI=1S/C16H19BrN4O3S/c1-12-11-15(19(2)18-12)16(22)20-7-9-21(10-8-20)25(23,24)14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyFXZHGGCLNSPEFB-UHFFFAOYSA-N
MW427.32 g/mol
LogP1.64
Rot. Bonds3

About [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 78904621) has the molecular formula C16H19BrN4O3S and a molecular weight of 427.32 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID78904621
Molecular FormulaC16H19BrN4O3S
Molecular Weight427.32 g/mol
Exact Mass426.04
IUPAC Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n(C)n1
InChIInChI=1S/C16H19BrN4O3S/c1-12-11-15(19(2)18-12)16(22)20-7-9-21(10-8-20)25(23,24)14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3
InChIKeyFXZHGGCLNSPEFB-UHFFFAOYSA-N
XLogP1.64
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 17461395
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 58326585
(2,5-dimethylpyrazol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55884111
(1,5-dimethylpyrazol-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78904623
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
CID 36551128
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (CID 78904621) is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n(C)n1.
What is the InChIKey of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is FXZHGGCLNSPEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3S/c1-12-11-15(19(2)18-12)16(22)20-7-9-21(10-8-20)25(23,24)14-5-3-13(17)4-6-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 427.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 78904621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).