1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one

C18H23N5O3S — CID 119036475

IUPAC1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CCC(N3CCN(S(=O)(=O)c4ccn[nH]4)CC3)C2=O)cc1
InChIInChI=1S/C18H23N5O3S/c1-14-2-4-15(5-3-14)23-9-7-16(18(23)24)21-10-12-22(13-11-21)27(25,26)17-6-8-19-20-17/h2-6,8,16H,7,9-13H2,1H3,(H,19,20)
InChIKeyLWXNKDZQLBKKSJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.83
Rot. Bonds4

About 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one

1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 119036475) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID119036475
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CCC(N3CCN(S(=O)(=O)c4ccn[nH]4)CC3)C2=O)cc1
InChIInChI=1S/C18H23N5O3S/c1-14-2-4-15(5-3-14)23-9-7-16(18(23)24)21-10-12-22(13-11-21)27(25,26)17-6-8-19-20-17/h2-6,8,16H,7,9-13H2,1H3,(H,19,20)
InChIKeyLWXNKDZQLBKKSJ-UHFFFAOYSA-N
XLogP0.83
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-3-[4-[(1S,2R,4S,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]piperazin-1-yl]pyrrolidin-2-one
CID 167894514
1-(4-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691515
4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102692305
1-[(3R)-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidin-3-yl]imidazolidin-2-one
CID 99846809
N-[[1-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidin-4-yl]methyl]methanesulfonamide
CID 126805259
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine
CID 102690328
4-methylsulfanyl-1-(1H-pyrazol-5-ylsulfonyl)azepane
CID 114238088
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-2-one
CID 86770894
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110020239
8-(1H-pyrazol-5-ylsulfonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 102692224

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one (CID 119036475) is 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one is Cc1ccc(N2CCC(N3CCN(S(=O)(=O)c4ccn[nH]4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is LWXNKDZQLBKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-14-2-4-15(5-3-14)23-9-7-16(18(23)24)21-10-12-22(13-11-21)27(25,26)17-6-8-19-20-17/h2-6,8,16H,7,9-13H2,1H3,(H,19,20).
What are the key properties of 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one?
1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 389.48 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[4-(1H-pyrazol-5-ylsulfonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 119036475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).