(Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile

C24H15N5S2 — CID 52747167

About (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile

(Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile (PubChem CID 52747167) has the molecular formula C24H15N5S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile.

Molecular Properties

• Compound Name: (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile
• PubChem CID: 52747167
• Molecular Formula: C24H15N5S2
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.08
• IUPAC Name: (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile
• SMILES: N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nc(-c2ccncc2)cs1
• InChI: InChI=1S/C24H15N5S2/c25-14-18(24-27-21(16-31-24)17-8-10-26-11-9-17)13-19-15-29(20-5-2-1-3-6-20)28-23(19)22-7-4-12-30-22/h1-13,15-16H/b18-13-
• InChIKey: LUHKAVHDKFXTLL-AQTBWJFISA-N
• XLogP: 6.18
• TPSA: 67.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile?

The IUPAC name of (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile (CID 52747167) is (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile.

What is the SMILES notation for (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile?

The canonical SMILES for (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile is N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nc(-c2ccncc2)cs1.

What is the InChIKey of (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile?

The InChIKey is LUHKAVHDKFXTLL-AQTBWJFISA-N. The full InChI is InChI=1S/C24H15N5S2/c25-14-18(24-27-21(16-31-24)17-8-10-26-11-9-17)13-19-15-29(20-5-2-1-3-6-20)28-23(19)22-7-4-12-30-22/h1-13,15-16H/b18-13-.

What are the key properties of (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile?

(Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile has a molecular weight of 437.55 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enenitrile is sourced from PubChem (CID 52747167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).