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

C16H21N3O3S — CID 90653864

IUPAC1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C16H21N3O3S/c1-23(21,22)12-16(20)15-9-14-11-18(7-8-19(14)17-15)10-13-5-3-2-4-6-13/h2-6,9,16,20H,7-8,10-12H2,1H3
InChIKeyKUTRGKMBJHSWQS-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.98
Rot. Bonds5

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

1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol (PubChem CID 90653864) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
PubChem CID90653864
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)c1cc2n(n1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C16H21N3O3S/c1-23(21,22)12-16(20)15-9-14-11-18(7-8-19(14)17-15)10-13-5-3-2-4-6-13/h2-6,9,16,20H,7-8,10-12H2,1H3
InChIKeyKUTRGKMBJHSWQS-UHFFFAOYSA-N
XLogP0.98
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[[2-(ethylamino)pyrimidin-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
CID 91761892
1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
CID 90649277
(1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
CID 124680339
1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90648479
1-[5-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
CID 171135034
(1R)-1-[5-[(1-benzylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 99974613
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 50962804
4-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1-methylpiperazin-2-one
CID 56720323
(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99977570
5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid
CID 91766747
1-[5-[(2-phenyl-1,3-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90652099

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
The IUPAC name of 1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol (CID 90653864) is 1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)c1cc2n(n1)CCN(Cc1ccccc1)C2.
What is the InChIKey of 1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
The InChIKey is KUTRGKMBJHSWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-23(21,22)12-16(20)15-9-14-11-18(7-8-19(14)17-15)10-13-5-3-2-4-6-13/h2-6,9,16,20H,7-8,10-12H2,1H3.
What are the key properties of 1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol?
1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol has a molecular weight of 335.43 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-2-methylsulfonylethanol is sourced from PubChem (CID 90653864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).