1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine

C25H29ClN4O2S — CID 42285572

IUPAC1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)CC1
InChIInChI=1S/C25H29ClN4O2S/c1-19-11-12-21(26)17-23(19)28-13-15-29(16-14-28)33(31,32)24-18-30(22-9-5-6-10-22)27-25(24)20-7-3-2-4-8-20/h2-4,7-8,11-12,17-18,22H,5-6,9-10,13-16H2,1H3
InChIKeyLZRGIGODGOIXNR-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.14
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine

1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 42285572) has the molecular formula C25H29ClN4O2S and a molecular weight of 485.05 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine
PubChem CID42285572
Molecular FormulaC25H29ClN4O2S
Molecular Weight485.05 g/mol
Exact Mass484.17
IUPAC Name1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)CC1
InChIInChI=1S/C25H29ClN4O2S/c1-19-11-12-21(26)17-23(19)28-13-15-29(16-14-28)33(31,32)24-18-30(22-9-5-6-10-22)27-25(24)20-7-3-2-4-8-20/h2-4,7-8,11-12,17-18,22H,5-6,9-10,13-16H2,1H3
InChIKeyLZRGIGODGOIXNR-UHFFFAOYSA-N
XLogP5.14
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
CID 42347063
1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 42285563
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-phenylpyrazole-4-sulfonamide
CID 42285003
[5-bromo-7-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]-cyclopropylmethanone
CID 15987810
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 20851639
[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53336733
5-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-yl]-1,2-oxazole
CID 46292522
1-(2,4-dichlorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 113080251
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
3-(3-chlorophenyl)-1-cyclohexylpyrazole-4-carboxylic acid
CID 61273228
N-cyclohexyl-1-cyclopentyl-3-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42346917

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine (CID 42285572) is 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine is Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)CC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is LZRGIGODGOIXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2S/c1-19-11-12-21(26)17-23(19)28-13-15-29(16-14-28)33(31,32)24-18-30(22-9-5-6-10-22)27-25(24)20-7-3-2-4-8-20/h2-4,7-8,11-12,17-18,22H,5-6,9-10,13-16H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine?
1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 485.05 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 42285572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).