1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol

C14H23N3O3S — CID 90647566

IUPAC1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(C1CCCC1)C2
InChIInChI=1S/C14H23N3O3S/c1-21(19,20)10-14(18)13-8-12-9-16(6-7-17(12)15-13)11-4-2-3-5-11/h8,11,14,18H,2-7,9-10H2,1H3
InChIKeyAWPVIMXDTYLQTC-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.72
Rot. Bonds4

About 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol

1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol (PubChem CID 90647566) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
PubChem CID90647566
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(C1CCCC1)C2
InChIInChI=1S/C14H23N3O3S/c1-21(19,20)10-14(18)13-8-12-9-16(6-7-17(12)15-13)11-4-2-3-5-11/h8,11,14,18H,2-7,9-10H2,1H3
InChIKeyAWPVIMXDTYLQTC-UHFFFAOYSA-N
XLogP0.72
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol (CID 90647566) is 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1cc2n(n1)CCN(C1CCCC1)C2.
What is the InChIKey of 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
The InChIKey is AWPVIMXDTYLQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-21(19,20)10-14(18)13-8-12-9-16(6-7-17(12)15-13)11-4-2-3-5-11/h8,11,14,18H,2-7,9-10H2,1H3.
What are the key properties of 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol has a molecular weight of 313.42 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 1-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 90647566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).