4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine

C17H17N3O2S — CID 18676112

IUPAC4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine
SMILESCc1cccc(-n2nc(C)cc2-c2ccnc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C17H17N3O2S/c1-12-5-4-6-15(9-12)20-16(10-13(2)19-20)14-7-8-18-17(11-14)23(3,21)22/h4-11H,1-3H3
InChIKeyGQPVSTUBXXFCHF-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.95
Rot. Bonds3

About 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine

4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine (PubChem CID 18676112) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine.

Molecular Properties

Compound Name4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine
PubChem CID18676112
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine
SMILESCc1cccc(-n2nc(C)cc2-c2ccnc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C17H17N3O2S/c1-12-5-4-6-15(9-12)20-16(10-13(2)19-20)14-7-8-18-17(11-14)23(3,21)22/h4-11H,1-3H3
InChIKeyGQPVSTUBXXFCHF-UHFFFAOYSA-N
XLogP2.95
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine?
The IUPAC name of 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine (CID 18676112) is 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine.
What is the SMILES notation for 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine?
The canonical SMILES for 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine is Cc1cccc(-n2nc(C)cc2-c2ccnc(S(C)(=O)=O)c2)c1.
What is the InChIKey of 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine?
The InChIKey is GQPVSTUBXXFCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-5-4-6-15(9-12)20-16(10-13(2)19-20)14-7-8-18-17(11-14)23(3,21)22/h4-11H,1-3H3.
What are the key properties of 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine?
4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine has a molecular weight of 327.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-2-methylsulfonylpyridine is sourced from PubChem (CID 18676112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).