1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

C18H24N4O3S — CID 6489214

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O3S/c1-15-14-16(2)22(19-15)9-8-18(23)20-10-12-21(13-11-20)26(24,25)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3
InChIKeyZOUMTNJOZKZHEZ-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.42
Rot. Bonds5

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 6489214) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID6489214
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O3S/c1-15-14-16(2)22(19-15)9-8-18(23)20-10-12-21(13-11-20)26(24,25)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3
InChIKeyZOUMTNJOZKZHEZ-UHFFFAOYSA-N
XLogP1.42
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164045
4-{[3-(3,5-Dimethyl-1h-Pyrazol-1-Yl)-3-Oxopropyl]amino}benzenesulfonamide
CID 86278564
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 2161196
1-[(3,4-dimethylphenyl)sulfonyl]-4-[2-methyl-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoyl]piperazine
CID 6499851
1-[(4-chlorophenyl)sulfonyl]-4-[2-methyl-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoyl]piperazine
CID 6499853
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-[4-(2-fluorophenyl)piperazin-1-YL]propan-1-one
CID 16027727
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4787528
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781
N-{4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfamoyl]phenyl}acetamide
CID 7762538
3-(4-Chloro-3,5-dimethylpyrazolyl)-1-{4-[(4-methylphenyl)sulfonyl]piperazinyl} butan-1-one
CID 2984996

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 6489214) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is ZOUMTNJOZKZHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-15-14-16(2)22(19-15)9-8-18(23)20-10-12-21(13-11-20)26(24,25)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 376.48 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 6489214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).