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

C15H12FN3O2S — CID 15541511

IUPAC4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine
SMILESCS(=O)(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H12FN3O2S/c1-22(20,21)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)
InChIKeyDLORWPQRFBXPDL-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.68
Rot. Bonds3

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

4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine (PubChem CID 15541511) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine
PubChem CID15541511
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine
SMILESCS(=O)(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C15H12FN3O2S/c1-22(20,21)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)
InChIKeyDLORWPQRFBXPDL-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine (CID 15541511) is 4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine is CS(=O)(=O)c1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine?
The InChIKey is DLORWPQRFBXPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-22(20,21)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-methylsulfonyl-1H-pyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine has a molecular weight of 317.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-methylsulfonyl-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 15541511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).