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

C15H12FN3OS — CID 15541510

IUPAC4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine
SMILESCS(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H12FN3OS/c1-21(20)15-13(10-6-8-17-9-7-10)14(18-19-15)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,18,19)
InChIKeyMMEIKADLXQTQCM-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.02
Rot. Bonds3

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

4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine (PubChem CID 15541510) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine
PubChem CID15541510
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine
SMILESCS(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H12FN3OS/c1-21(20)15-13(10-6-8-17-9-7-10)14(18-19-15)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,18,19)
InChIKeyMMEIKADLXQTQCM-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine (CID 15541510) is 4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine is CS(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine?
The InChIKey is MMEIKADLXQTQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-21(20)15-13(10-6-8-17-9-7-10)14(18-19-15)11-2-4-12(16)5-3-11/h2-9H,1H3,(H,18,19).
What are the key properties of 4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-5-methylsulfinyl-1H-pyrazol-4-yl]pyridine has a molecular weight of 301.35 g/mol, XLogP of 3.02, 3 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-methylsulfinyl-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 15541510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).