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

C15H21N3O3S2 — CID 90650314

IUPAC2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCc1ccc(CN2CCn3nc(C(O)CS(C)(=O)=O)cc3C2)s1
InChIInChI=1S/C15H21N3O3S2/c1-11-3-4-13(22-11)9-17-5-6-18-12(8-17)7-14(16-18)15(19)10-23(2,20)21/h3-4,7,15,19H,5-6,8-10H2,1-2H3
InChIKeyVOBXELQRVLNGCM-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.35
Rot. Bonds5

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

2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (PubChem CID 90650314) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
PubChem CID90650314
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
SMILESCc1ccc(CN2CCn3nc(C(O)CS(C)(=O)=O)cc3C2)s1
InChIInChI=1S/C15H21N3O3S2/c1-11-3-4-13(22-11)9-17-5-6-18-12(8-17)7-14(16-18)15(19)10-23(2,20)21/h3-4,7,15,19H,5-6,8-10H2,1-2H3
InChIKeyVOBXELQRVLNGCM-UHFFFAOYSA-N
XLogP1.35
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The IUPAC name of 2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol (CID 90650314) is 2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol.
What is the SMILES notation for 2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The canonical SMILES for 2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is Cc1ccc(CN2CCn3nc(C(O)CS(C)(=O)=O)cc3C2)s1.
What is the InChIKey of 2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
The InChIKey is VOBXELQRVLNGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-11-3-4-13(22-11)9-17-5-6-18-12(8-17)7-14(16-18)15(19)10-23(2,20)21/h3-4,7,15,19H,5-6,8-10H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol?
2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol has a molecular weight of 355.49 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol is sourced from PubChem (CID 90650314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).