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

C19H26N4O3S — CID 6499825

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
SMILESCc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C19H26N4O3S/c1-15-16(2)20-23(17(15)3)10-9-19(24)21-11-13-22(14-12-21)27(25,26)18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3
InChIKeyWWGGGECSAAPBMU-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.73
Rot. Bonds5

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

1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one (PubChem CID 6499825) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
PubChem CID6499825
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
SMILESCc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C19H26N4O3S/c1-15-16(2)20-23(17(15)3)10-9-19(24)21-11-13-22(14-12-21)27(25,26)18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3
InChIKeyWWGGGECSAAPBMU-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one (CID 6499825) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one is Cc1nn(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1C.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one?
The InChIKey is WWGGGECSAAPBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-15-16(2)20-23(17(15)3)10-9-19(24)21-11-13-22(14-12-21)27(25,26)18-7-5-4-6-8-18/h4-8H,9-14H2,1-3H3.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one?
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one has a molecular weight of 390.51 g/mol, XLogP of 1.73, 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-(3,4,5-trimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 6499825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).