1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol

C16H21N3O4S — CID 171135034

IUPAC1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(CC=Cc1ccco1)C2
InChIInChI=1S/C16H21N3O4S/c1-24(21,22)12-16(20)15-10-13-11-18(7-8-19(13)17-15)6-2-4-14-5-3-9-23-14/h2-5,9-10,16,20H,6-8,11-12H2,1H3
InChIKeyXEIULZAUCJQZOG-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.08
Rot. Bonds6

About 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol

1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol (PubChem CID 171135034) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
PubChem CID171135034
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(CC=Cc1ccco1)C2
InChIInChI=1S/C16H21N3O4S/c1-24(21,22)12-16(20)15-10-13-11-18(7-8-19(13)17-15)6-2-4-14-5-3-9-23-14/h2-5,9-10,16,20H,6-8,11-12H2,1H3
InChIKeyXEIULZAUCJQZOG-UHFFFAOYSA-N
XLogP1.08
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The IUPAC name of 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol (CID 171135034) is 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol.
What is the SMILES notation for 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The canonical SMILES for 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1cc2n(n1)CCN(CC=Cc1ccco1)C2.
What is the InChIKey of 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The InChIKey is XEIULZAUCJQZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-24(21,22)12-16(20)15-10-13-11-18(7-8-19(13)17-15)6-2-4-14-5-3-9-23-14/h2-5,9-10,16,20H,6-8,11-12H2,1H3.
What are the key properties of 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol has a molecular weight of 351.43 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol is sourced from PubChem (CID 171135034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).