(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C14H23N3O4S — CID 124781899

IUPAC(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCS(=O)(=O)N1Cc2ccnn2[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C14H23N3O4S/c1-22(18,19)16-8-13-2-5-15-17(13)14(9-16)11-21-10-12-3-6-20-7-4-12/h2,5,12,14H,3-4,6-11H2,1H3/t14-/m1/s1
InChIKeyCEKRJJFQHAWNIJ-CQSZACIVSA-N
MW329.42 g/mol
LogP0.64
Rot. Bonds5

About (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 124781899) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID124781899
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCS(=O)(=O)N1Cc2ccnn2[C@@H](COCC2CCOCC2)C1
InChIInChI=1S/C14H23N3O4S/c1-22(18,19)16-8-13-2-5-15-17(13)14(9-16)11-21-10-12-3-6-20-7-4-12/h2,5,12,14H,3-4,6-11H2,1H3/t14-/m1/s1
InChIKeyCEKRJJFQHAWNIJ-CQSZACIVSA-N
XLogP0.64
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine 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 (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 124781899) is (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CS(=O)(=O)N1Cc2ccnn2[C@@H](COCC2CCOCC2)C1.
What is the InChIKey of (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is CEKRJJFQHAWNIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-22(18,19)16-8-13-2-5-15-17(13)14(9-16)11-21-10-12-3-6-20-7-4-12/h2,5,12,14H,3-4,6-11H2,1H3/t14-/m1/s1.
What are the key properties of (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 329.42 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 124781899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).