2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine

C18H15N3S — CID 44725641

IUPAC2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine
SMILESc1ccc(N2N=C(c3ccccn3)CC2c2ccsc2)cc1
InChIInChI=1S/C18H15N3S/c1-2-6-15(7-3-1)21-18(14-9-11-22-13-14)12-17(20-21)16-8-4-5-10-19-16/h1-11,13,18H,12H2
InChIKeyPRWGTGFRMAYHLA-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.50
Rot. Bonds3

About 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine

2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine (PubChem CID 44725641) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine
PubChem CID44725641
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine
SMILESc1ccc(N2N=C(c3ccccn3)CC2c2ccsc2)cc1
InChIInChI=1S/C18H15N3S/c1-2-6-15(7-3-1)21-18(14-9-11-22-13-14)12-17(20-21)16-8-4-5-10-19-16/h1-11,13,18H,12H2
InChIKeyPRWGTGFRMAYHLA-UHFFFAOYSA-N
XLogP4.50
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine?
The IUPAC name of 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine (CID 44725641) is 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine.
What is the SMILES notation for 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine?
The canonical SMILES for 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine is c1ccc(N2N=C(c3ccccn3)CC2c2ccsc2)cc1.
What is the InChIKey of 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine?
The InChIKey is PRWGTGFRMAYHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-2-6-15(7-3-1)21-18(14-9-11-22-13-14)12-17(20-21)16-8-4-5-10-19-16/h1-11,13,18H,12H2.
What are the key properties of 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine?
2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine has a molecular weight of 305.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-3-thiophen-3-yl-3,4-dihydropyrazol-5-yl)pyridine is sourced from PubChem (CID 44725641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).