1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C15H19N3O3S — CID 71837241

IUPAC1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COc2ccccc2)c2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C15H19N3O3S/c1-17-15-8-9-18(22(2,19)20)10-13(15)14(16-17)11-21-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyKDFPUCHUXRSLPG-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.32
Rot. Bonds4

About 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 71837241) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID71837241
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COc2ccccc2)c2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C15H19N3O3S/c1-17-15-8-9-18(22(2,19)20)10-13(15)14(16-17)11-21-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyKDFPUCHUXRSLPG-UHFFFAOYSA-N
XLogP1.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine 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 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 71837241) is 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cn1nc(COc2ccccc2)c2c1CCN(S(C)(=O)=O)C2.
What is the InChIKey of 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is KDFPUCHUXRSLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-17-15-8-9-18(22(2,19)20)10-13(15)14(16-17)11-21-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 321.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylsulfonyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 71837241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).