7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C16H28N4O2S — CID 133136599

IUPAC7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCCS(=O)(=O)N1Cc2ccnn2C(CCN2CCCCC2)C1
InChIInChI=1S/C16H28N4O2S/c1-2-12-23(21,22)19-13-15-6-8-17-20(15)16(14-19)7-11-18-9-4-3-5-10-18/h6,8,16H,2-5,7,9-14H2,1H3
InChIKeyYQPGMPOSCGPSTH-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.86
Rot. Bonds6

About 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 133136599) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID133136599
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCCS(=O)(=O)N1Cc2ccnn2C(CCN2CCCCC2)C1
InChIInChI=1S/C16H28N4O2S/c1-2-12-23(21,22)19-13-15-6-8-17-20(15)16(14-19)7-11-18-9-4-3-5-10-18/h6,8,16H,2-5,7,9-14H2,1H3
InChIKeyYQPGMPOSCGPSTH-UHFFFAOYSA-N
XLogP1.86
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 133136599) is 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CCCS(=O)(=O)N1Cc2ccnn2C(CCN2CCCCC2)C1.
What is the InChIKey of 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is YQPGMPOSCGPSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-2-12-23(21,22)19-13-15-6-8-17-20(15)16(14-19)7-11-18-9-4-3-5-10-18/h6,8,16H,2-5,7,9-14H2,1H3.
What are the key properties of 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 340.49 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 133136599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).