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

C16H21N3O3S — CID 50832735

IUPAC1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COCc2ccccc2)c2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C16H21N3O3S/c1-18-16-8-9-19(23(2,20)21)10-14(16)15(17-18)12-22-11-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyWQBAHFQVVGJMIS-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.45
Rot. Bonds5

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

1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 50832735) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID50832735
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCn1nc(COCc2ccccc2)c2c1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C16H21N3O3S/c1-18-16-8-9-19(23(2,20)21)10-14(16)15(17-18)12-22-11-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyWQBAHFQVVGJMIS-UHFFFAOYSA-N
XLogP1.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 50832735) is 1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is Cn1nc(COCc2ccccc2)c2c1CCN(S(C)(=O)=O)C2.
What is the InChIKey of 1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is WQBAHFQVVGJMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-18-16-8-9-19(23(2,20)21)10-14(16)15(17-18)12-22-11-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3.
What are the key properties of 1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
1-methyl-5-methylsulfonyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 335.43 g/mol, XLogP of 1.45, 5 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-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 50832735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).