4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine

C23H21N3O2S — CID 166490602

IUPAC4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine
SMILESCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C23H21N3O2S/c1-15-13-19(22-16(2)25-26-23(22)17-9-11-24-12-10-17)7-8-21(15)18-5-4-6-20(14-18)29(3,27)28/h4-14H,1-3H3,(H,25,26)
InChIKeyQGNLRYKODDKSIL-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.83
Rot. Bonds4

About 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine

4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine (PubChem CID 166490602) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine
PubChem CID166490602
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine
SMILESCc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C23H21N3O2S/c1-15-13-19(22-16(2)25-26-23(22)17-9-11-24-12-10-17)7-8-21(15)18-5-4-6-20(14-18)29(3,27)28/h4-14H,1-3H3,(H,25,26)
InChIKeyQGNLRYKODDKSIL-UHFFFAOYSA-N
XLogP4.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine (CID 166490602) is 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine is Cc1cc(-c2c(-c3ccncc3)n[nH]c2C)ccc1-c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine?
The InChIKey is QGNLRYKODDKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15-13-19(22-16(2)25-26-23(22)17-9-11-24-12-10-17)7-8-21(15)18-5-4-6-20(14-18)29(3,27)28/h4-14H,1-3H3,(H,25,26).
What are the key properties of 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine?
4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 403.51 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-[3-methyl-4-(3-methylsulfonylphenyl)phenyl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 166490602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).