4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C24H21N7OS — CID 24956493

About 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 24956493) has the molecular formula C24H21N7OS and a molecular weight of 455.55 g/mol. Its IUPAC name is 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 24956493
• Molecular Formula: C24H21N7OS
• Molecular Weight: 455.55 g/mol
• Exact Mass: 455.15
• IUPAC Name: 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccn(Cc3ccc(-n4cccn4)cc3)n2)sc1C(=O)NCc1cccnc1
• InChI: InChI=1S/C24H21N7OS/c1-17-22(23(32)26-15-19-4-2-10-25-14-19)33-24(28-17)21-9-13-30(29-21)16-18-5-7-20(8-6-18)31-12-3-11-27-31/h2-14H,15-16H2,1H3,(H,26,32)
• InChIKey: GRCRTBQDOQHLNV-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.55
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 24956493) is 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccn(Cc3ccc(-n4cccn4)cc3)n2)sc1C(=O)NCc1cccnc1.

What is the InChIKey of 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

The InChIKey is GRCRTBQDOQHLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7OS/c1-17-22(23(32)26-15-19-4-2-10-25-14-19)33-24(28-17)21-9-13-30(29-21)16-18-5-7-20(8-6-18)31-12-3-11-27-31/h2-14H,15-16H2,1H3,(H,26,32).

What are the key properties of 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?

4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 455.55 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24956493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).