4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine

C14H15N3O2S — CID 102691824

IUPAC4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccn[nH]1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C14H15N3O2S/c18-20(19,14-6-9-15-16-14)17-10-7-13(8-11-17)12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,15,16)
InChIKeyFBEPUHGCFJFMFY-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.89
Rot. Bonds3

About 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine

4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine (PubChem CID 102691824) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine
PubChem CID102691824
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1ccn[nH]1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C14H15N3O2S/c18-20(19,14-6-9-15-16-14)17-10-7-13(8-11-17)12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,15,16)
InChIKeyFBEPUHGCFJFMFY-UHFFFAOYSA-N
XLogP1.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine (CID 102691824) is 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine is O=S(=O)(c1ccn[nH]1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine?
The InChIKey is FBEPUHGCFJFMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-20(19,14-6-9-15-16-14)17-10-7-13(8-11-17)12-4-2-1-3-5-12/h1-7,9H,8,10-11H2,(H,15,16).
What are the key properties of 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine?
4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine has a molecular weight of 289.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(1H-pyrazol-5-ylsulfonyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 102691824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).