2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine

C19H25N3O4S — CID 126764018

IUPAC2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine
SMILESC=Cc1cc(C2CC(C)(S(=O)(=O)c3cccc(C)n3)CCO2)n(COC)n1
InChIInChI=1S/C19H25N3O4S/c1-5-15-11-16(22(21-15)13-25-4)17-12-19(3,9-10-26-17)27(23,24)18-8-6-7-14(2)20-18/h5-8,11,17H,1,9-10,12-13H2,2-4H3
InChIKeyIGDSJUQUOHNJIU-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.92
Rot. Bonds6

About 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine

2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine (PubChem CID 126764018) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine.

Molecular Properties

Compound Name2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine
PubChem CID126764018
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine
SMILESC=Cc1cc(C2CC(C)(S(=O)(=O)c3cccc(C)n3)CCO2)n(COC)n1
InChIInChI=1S/C19H25N3O4S/c1-5-15-11-16(22(21-15)13-25-4)17-12-19(3,9-10-26-17)27(23,24)18-8-6-7-14(2)20-18/h5-8,11,17H,1,9-10,12-13H2,2-4H3
InChIKeyIGDSJUQUOHNJIU-UHFFFAOYSA-N
XLogP2.92
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine?
The IUPAC name of 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine (CID 126764018) is 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine.
What is the SMILES notation for 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine?
The canonical SMILES for 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine is C=Cc1cc(C2CC(C)(S(=O)(=O)c3cccc(C)n3)CCO2)n(COC)n1.
What is the InChIKey of 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine?
The InChIKey is IGDSJUQUOHNJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-5-15-11-16(22(21-15)13-25-4)17-12-19(3,9-10-26-17)27(23,24)18-8-6-7-14(2)20-18/h5-8,11,17H,1,9-10,12-13H2,2-4H3.
What are the key properties of 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine?
2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine has a molecular weight of 391.49 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-ethenyl-1-(methoxymethyl)pyrazol-5-yl]-4-methyloxan-4-yl]sulfonyl-6-methylpyridine is sourced from PubChem (CID 126764018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).