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

C15H22N4O3S2 — CID 91767111

IUPAC2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCc1nc(CCN2CCn3nc(C(O)CS(C)(=O)=O)cc3C2)cs1
InChIInChI=1S/C15H22N4O3S2/c1-11-16-12(9-23-11)3-4-18-5-6-19-13(8-18)7-14(17-19)15(20)10-24(2,21)22/h7,9,15,20H,3-6,8,10H2,1-2H3
InChIKeyMOIVRNKDOOMJNF-UHFFFAOYSA-N
MW370.50 g/mol
LogP0.78
Rot. Bonds6

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

2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 91767111) has the molecular formula C15H22N4O3S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID91767111
Molecular FormulaC15H22N4O3S2
Molecular Weight370.50 g/mol
Exact Mass370.11
IUPAC Name2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCc1nc(CCN2CCn3nc(C(O)CS(C)(=O)=O)cc3C2)cs1
InChIInChI=1S/C15H22N4O3S2/c1-11-16-12(9-23-11)3-4-18-5-6-19-13(8-18)7-14(17-19)15(20)10-24(2,21)22/h7,9,15,20H,3-6,8,10H2,1-2H3
InChIKeyMOIVRNKDOOMJNF-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

{5-[(4-Isopropyl-1,3-thiazol-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91775884
{1-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}methanol
CID 91831774
1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 100050429
1-(5-Cyclopentyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-2-(methylsulfonyl)ethanol
CID 90647566
2-(Methylsulfonyl)-1-{5-[3-(methylthio)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}ethanol
CID 90648824
1-(5-{[2-(Methylthio)-1,3-thiazol-4-yl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-ol
CID 90649841
2-(Methylsulfonyl)-1-{5-[(5-methyl-2-thienyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}ethanol
CID 90650314
1-[5-(1,4-Dithiepan-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]-2-(methylsulfonyl)ethanol
CID 91763754
2-(Dimethylamino)-1-{5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}ethanol
CID 91764592
1-[5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 91765146
1-[5-(1,3-Thiazol-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 91765222
[5-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 91767370

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of 2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 91767111) is 2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for 2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for 2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is Cc1nc(CCN2CCn3nc(C(O)CS(C)(=O)=O)cc3C2)cs1.
What is the InChIKey of 2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is MOIVRNKDOOMJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S2/c1-11-16-12(9-23-11)3-4-18-5-6-19-13(8-18)7-14(17-19)15(20)10-24(2,21)22/h7,9,15,20H,3-6,8,10H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 370.50 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 91767111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).