2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline

C22H15N3S — CID 162662195

IUPAC2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline
SMILESc1ccc(-c2cc(-c3ccn[nH]3)c3cccc(-c4cccs4)c3n2)cc1
InChIInChI=1S/C22H15N3S/c1-2-6-15(7-3-1)20-14-18(19-11-12-23-25-19)16-8-4-9-17(22(16)24-20)21-10-5-13-26-21/h1-14H,(H,23,25)
InChIKeyZYRPAZHKWUOTPV-UHFFFAOYSA-N
MW353.45 g/mol
LogP6.02
Rot. Bonds3

About 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline

2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline (PubChem CID 162662195) has the molecular formula C22H15N3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline.

Molecular Properties

Compound Name2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline
PubChem CID162662195
Molecular FormulaC22H15N3S
Molecular Weight353.45 g/mol
Exact Mass353.10
IUPAC Name2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline
SMILESc1ccc(-c2cc(-c3ccn[nH]3)c3cccc(-c4cccs4)c3n2)cc1
InChIInChI=1S/C22H15N3S/c1-2-6-15(7-3-1)20-14-18(19-11-12-23-25-19)16-8-4-9-17(22(16)24-20)21-10-5-13-26-21/h1-14H,(H,23,25)
InChIKeyZYRPAZHKWUOTPV-UHFFFAOYSA-N
XLogP6.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline?
The IUPAC name of 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline (CID 162662195) is 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline.
What is the SMILES notation for 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline?
The canonical SMILES for 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline is c1ccc(-c2cc(-c3ccn[nH]3)c3cccc(-c4cccs4)c3n2)cc1.
What is the InChIKey of 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline?
The InChIKey is ZYRPAZHKWUOTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3S/c1-2-6-15(7-3-1)20-14-18(19-11-12-23-25-19)16-8-4-9-17(22(16)24-20)21-10-5-13-26-21/h1-14H,(H,23,25).
What are the key properties of 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline?
2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline has a molecular weight of 353.45 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1H-pyrazol-5-yl)-8-thiophen-2-ylquinoline is sourced from PubChem (CID 162662195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).