4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine

C22H18FN3OS — CID 20735827

IUPAC4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine
SMILESCc1ccc(CS(=O)c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H18FN3OS/c1-15-2-4-16(5-3-15)14-28(27)22-20(17-10-12-24-13-11-17)21(25-26-22)18-6-8-19(23)9-7-18/h2-13H,14H2,1H3,(H,25,26)
InChIKeyZJHXUZHWJATVPR-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.89
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine

4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine (PubChem CID 20735827) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine
PubChem CID20735827
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine
SMILESCc1ccc(CS(=O)c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C22H18FN3OS/c1-15-2-4-16(5-3-15)14-28(27)22-20(17-10-12-24-13-11-17)21(25-26-22)18-6-8-19(23)9-7-18/h2-13H,14H2,1H3,(H,25,26)
InChIKeyZJHXUZHWJATVPR-UHFFFAOYSA-N
XLogP4.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 59038044
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668
[4-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanesulfinic acid
CID 174491571
4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22262543
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N-methylbutan-1-amine
CID 22953900
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butan-1-amine
CID 22953896
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclopentan-1-amine
CID 22953598
3-(4-fluorophenyl)-N,N-dimethyl-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 139825870
3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
CID 146012376
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-phenylbutan-1-ol
CID 24821523
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-phenylethanol
CID 174424847

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine (CID 20735827) is 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine is Cc1ccc(CS(=O)c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is ZJHXUZHWJATVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-15-2-4-16(5-3-15)14-28(27)22-20(17-10-12-24-13-11-17)21(25-26-22)18-6-8-19(23)9-7-18/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 391.47 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfinyl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 20735827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).