1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

C23H27ClN4O3S — CID 55831195

IUPAC1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nn(Cc4ccccc4)c3Cl)CC2)cc1
InChIInChI=1S/C23H27ClN4O3S/c1-18-22(23(24)28(25-18)16-19-6-4-3-5-7-19)17-26-12-14-27(15-13-26)32(29,30)21-10-8-20(31-2)9-11-21/h3-11H,12-17H2,1-2H3
InChIKeyUPKPOUUGSYHNNG-UHFFFAOYSA-N
MW475.01 g/mol
LogP3.41
Rot. Bonds7

About 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine

1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 55831195) has the molecular formula C23H27ClN4O3S and a molecular weight of 475.01 g/mol. Its IUPAC name is 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID55831195
Molecular FormulaC23H27ClN4O3S
Molecular Weight475.01 g/mol
Exact Mass474.15
IUPAC Name1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nn(Cc4ccccc4)c3Cl)CC2)cc1
InChIInChI=1S/C23H27ClN4O3S/c1-18-22(23(24)28(25-18)16-19-6-4-3-5-7-19)17-26-12-14-27(15-13-26)32(29,30)21-10-8-20(31-2)9-11-21/h3-11H,12-17H2,1-2H3
InChIKeyUPKPOUUGSYHNNG-UHFFFAOYSA-N
XLogP3.41
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1317657
1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine;oxalic acid
CID 17366067
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-phenylbenzamide
CID 71903002
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
(E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-en-1-one
CID 26831963
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 8746367
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine (CID 55831195) is 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3c(C)nn(Cc4ccccc4)c3Cl)CC2)cc1.
What is the InChIKey of 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is UPKPOUUGSYHNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3S/c1-18-22(23(24)28(25-18)16-19-6-4-3-5-7-19)17-26-12-14-27(15-13-26)32(29,30)21-10-8-20(31-2)9-11-21/h3-11H,12-17H2,1-2H3.
What are the key properties of 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine?
1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 475.01 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 55831195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).