(1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol

C15H22N4O3S2 — CID 124680339

IUPAC(1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
SMILESCCc1nc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cs1
InChIInChI=1S/C15H22N4O3S2/c1-3-15-16-11(9-23-15)7-18-4-5-19-12(8-18)6-13(17-19)14(20)10-24(2,21)22/h6,9,14,20H,3-5,7-8,10H2,1-2H3/t14-/m1/s1
InChIKeyOAKNJQRTBNWAGR-CQSZACIVSA-N
MW370.50 g/mol
LogP1.00
Rot. Bonds6

About (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol

(1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol (PubChem CID 124680339) has the molecular formula C15H22N4O3S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol.

Molecular Properties

Compound Name(1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
PubChem CID124680339
Molecular FormulaC15H22N4O3S2
Molecular Weight370.50 g/mol
Exact Mass370.11
IUPAC Name(1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol
SMILESCCc1nc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cs1
InChIInChI=1S/C15H22N4O3S2/c1-3-15-16-11(9-23-15)7-18-4-5-19-12(8-18)6-13(17-19)14(20)10-24(2,21)22/h6,9,14,20H,3-5,7-8,10H2,1-2H3/t14-/m1/s1
InChIKeyOAKNJQRTBNWAGR-CQSZACIVSA-N
XLogP1.00
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The IUPAC name of (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) is (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol.
What is the SMILES notation for (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The canonical SMILES for (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol is CCc1nc(CN2CCn3nc([C@H](O)CS(C)(=O)=O)cc3C2)cs1.
What is the InChIKey of (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
The InChIKey is OAKNJQRTBNWAGR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N4O3S2/c1-3-15-16-11(9-23-15)7-18-4-5-19-12(8-18)6-13(17-19)14(20)10-24(2,21)22/h6,9,14,20H,3-5,7-8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol?
(1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol has a molecular weight of 370.50 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-methylsulfonylethanol is sourced from PubChem (CID 124680339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).