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

C18H25N3O4S — CID 90649277

IUPAC1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
SMILESCOc1cc(C)ccc1CN1CCn2nc(C(O)CS(C)(=O)=O)cc2C1
InChIInChI=1S/C18H25N3O4S/c1-13-4-5-14(18(8-13)25-2)10-20-6-7-21-15(11-20)9-16(19-21)17(22)12-26(3,23)24/h4-5,8-9,17,22H,6-7,10-12H2,1-3H3
InChIKeyWONJEFHZPRQBEJ-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.29
Rot. Bonds6

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

1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol (PubChem CID 90649277) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
PubChem CID90649277
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
SMILESCOc1cc(C)ccc1CN1CCn2nc(C(O)CS(C)(=O)=O)cc2C1
InChIInChI=1S/C18H25N3O4S/c1-13-4-5-14(18(8-13)25-2)10-20-6-7-21-15(11-20)9-16(19-21)17(22)12-26(3,23)24/h4-5,8-9,17,22H,6-7,10-12H2,1-3H3
InChIKeyWONJEFHZPRQBEJ-UHFFFAOYSA-N
XLogP1.29
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
(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-[3-(furan-2-yl)prop-2-enyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
CID 171135034
5-[[2-[cyclopropyl(hydroxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methoxybenzoic acid
CID 91766747
3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
CID 90650539
1-[5-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91793001
2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 72851753
(1R)-1-[5-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 99998546
2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 118770602
N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 99971957
(5-cyclopropyl-1,3-oxazol-4-yl)-[2-(1-hydroxy-2-methylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 91766199
[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 91771840

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The IUPAC name of 1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol (CID 90649277) is 1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol.
What is the SMILES notation for 1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The canonical SMILES for 1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol is COc1cc(C)ccc1CN1CCn2nc(C(O)CS(C)(=O)=O)cc2C1.
What is the InChIKey of 1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The InChIKey is WONJEFHZPRQBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-13-4-5-14(18(8-13)25-2)10-20-6-7-21-15(11-20)9-16(19-21)17(22)12-26(3,23)24/h4-5,8-9,17,22H,6-7,10-12H2,1-3H3.
What are the key properties of 1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol has a molecular weight of 379.48 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methoxy-4-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol is sourced from PubChem (CID 90649277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).