6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

C20H23N5O4S — CID 56532022

About 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 56532022) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
• PubChem CID: 56532022
• Molecular Formula: C20H23N5O4S
• Molecular Weight: 429.50 g/mol
• Exact Mass: 429.15
• IUPAC Name: 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
• SMILES: Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
• InChI: InChI=1S/C20H23N5O4S/c1-14-17(15(2)25-18(21-14)13-19(26)22-25)12-20(27)23-8-10-24(11-9-23)30(28,29)16-6-4-3-5-7-16/h3-7,13H,8-12H2,1-2H3,(H,22,26)
• InChIKey: OEYDOPNXXAJPSE-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 107.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.50
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?

The IUPAC name of 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 56532022) is 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one.

What is the SMILES notation for 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?

The canonical SMILES for 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.

What is the InChIKey of 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?

The InChIKey is OEYDOPNXXAJPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-14-17(15(2)25-18(21-14)13-19(26)22-25)12-20(27)23-8-10-24(11-9-23)30(28,29)16-6-4-3-5-7-16/h3-7,13H,8-12H2,1-2H3,(H,22,26).

What are the key properties of 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one?

6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 429.50 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 56532022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).