3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine

C19H20N2O2S — CID 139664420

IUPAC3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1nn2ccccc2c1/C=C/c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-14(2)19-17(18-6-4-5-13-21(18)20-19)12-9-15-7-10-16(11-8-15)24(3,22)23/h4-14H,1-3H3/b12-9+
InChIKeyMLFZBZSHBNTWGC-FMIVXFBMSA-N
MW340.45 g/mol
LogP4.03
Rot. Bonds4

About 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine

3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine (PubChem CID 139664420) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine
PubChem CID139664420
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1nn2ccccc2c1/C=C/c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H20N2O2S/c1-14(2)19-17(18-6-4-5-13-21(18)20-19)12-9-15-7-10-16(11-8-15)24(3,22)23/h4-14H,1-3H3/b12-9+
InChIKeyMLFZBZSHBNTWGC-FMIVXFBMSA-N
XLogP4.03
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine (CID 139664420) is 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine is CC(C)c1nn2ccccc2c1/C=C/c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine?
The InChIKey is MLFZBZSHBNTWGC-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14(2)19-17(18-6-4-5-13-21(18)20-19)12-9-15-7-10-16(11-8-15)24(3,22)23/h4-14H,1-3H3/b12-9+.
What are the key properties of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine?
3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine has a molecular weight of 340.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-2-propan-2-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 139664420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).