1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

C19H26N4O3S — CID 134048474

IUPAC1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(C)n3cccn3)CC2)cc1
InChIInChI=1S/C19H26N4O3S/c1-15(2)17-5-7-18(8-6-17)27(25,26)22-13-11-21(12-14-22)19(24)16(3)23-10-4-9-20-23/h4-10,15-16H,11-14H2,1-3H3
InChIKeyAZKARFJFZWWSCE-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.10
Rot. Bonds5

About 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 134048474) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID134048474
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(C)n3cccn3)CC2)cc1
InChIInChI=1S/C19H26N4O3S/c1-15(2)17-5-7-18(8-6-17)27(25,26)22-13-11-21(12-14-22)19(24)16(3)23-10-4-9-20-23/h4-10,15-16H,11-14H2,1-3H3
InChIKeyAZKARFJFZWWSCE-UHFFFAOYSA-N
XLogP2.10
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
(2R)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 124506573
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
2-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119266647
1-[1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19470992
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 119134269
[(1R,2S)-2-methylcyclopropyl]-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344045
(2,6-difluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4249772
3-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119680786
2-[4-(2-pyrazol-1-ylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317777
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 26202318
(E)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 39585313

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 134048474) is 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C(C)n3cccn3)CC2)cc1.
What is the InChIKey of 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is AZKARFJFZWWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-15(2)17-5-7-18(8-6-17)27(25,26)22-13-11-21(12-14-22)19(24)16(3)23-10-4-9-20-23/h4-10,15-16H,11-14H2,1-3H3.
What are the key properties of 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 390.51 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 134048474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).