2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

C17H30N4O3S — CID 90649112

IUPAC2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCCCN1CCC(N2CCn3nc(C(O)CS(C)(=O)=O)cc3C2)CC1
InChIInChI=1S/C17H30N4O3S/c1-3-6-19-7-4-14(5-8-19)20-9-10-21-15(12-20)11-16(18-21)17(22)13-25(2,23)24/h11,14,17,22H,3-10,12-13H2,1-2H3
InChIKeyCRJYVMGPCQSMQH-UHFFFAOYSA-N
MW370.52 g/mol
LogP0.65
Rot. Bonds6

About 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol

2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 90649112) has the molecular formula C17H30N4O3S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID90649112
Molecular FormulaC17H30N4O3S
Molecular Weight370.52 g/mol
Exact Mass370.20
IUPAC Name2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCCCN1CCC(N2CCn3nc(C(O)CS(C)(=O)=O)cc3C2)CC1
InChIInChI=1S/C17H30N4O3S/c1-3-6-19-7-4-14(5-8-19)20-9-10-21-15(12-20)11-16(18-21)17(22)13-25(2,23)24/h11,14,17,22H,3-10,12-13H2,1-2H3
InChIKeyCRJYVMGPCQSMQH-UHFFFAOYSA-N
XLogP0.65
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 90649112) is 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is CCCN1CCC(N2CCn3nc(C(O)CS(C)(=O)=O)cc3C2)CC1.
What is the InChIKey of 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is CRJYVMGPCQSMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3S/c1-3-6-19-7-4-14(5-8-19)20-9-10-21-15(12-20)11-16(18-21)17(22)13-25(2,23)24/h11,14,17,22H,3-10,12-13H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 370.52 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[5-(1-propylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 90649112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).