[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C20H19BrN4O3S — CID 17428329

IUPAC[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H19BrN4O3S/c21-17-6-8-19(9-7-17)29(27,28)24-12-10-23(11-13-24)20(26)16-14-22-25(15-16)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2
InChIKeyNGNJZJSQDYPORL-UHFFFAOYSA-N
MW475.37 g/mol
LogP2.78
Rot. Bonds4

About [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 17428329) has the molecular formula C20H19BrN4O3S and a molecular weight of 475.37 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID17428329
Molecular FormulaC20H19BrN4O3S
Molecular Weight475.37 g/mol
Exact Mass474.04
IUPAC Name[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H19BrN4O3S/c21-17-6-8-19(9-7-17)29(27,28)24-12-10-23(11-13-24)20(26)16-14-22-25(15-16)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2
InChIKeyNGNJZJSQDYPORL-UHFFFAOYSA-N
XLogP2.78
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 26313374
[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 46489017
(4-benzylsulfonylpiperazin-1-yl)-[1-(4-bromophenyl)pyrazol-4-yl]methanone
CID 112832444
[1-(3-chlorophenyl)pyrazol-4-yl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55883003
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 17461395
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
(E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 26832002
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
1-[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 55810095

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 17428329) is [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is NGNJZJSQDYPORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3S/c21-17-6-8-19(9-7-17)29(27,28)24-12-10-23(11-13-24)20(26)16-14-22-25(15-16)18-4-2-1-3-5-18/h1-9,14-15H,10-13H2.
What are the key properties of [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 475.37 g/mol, XLogP of 2.78, 4 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]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 17428329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).