1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C20H17N5O2S — CID 176859767

About 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 176859767) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
• PubChem CID: 176859767
• Molecular Formula: C20H17N5O2S
• Molecular Weight: 391.46 g/mol
• Exact Mass: 391.11
• IUPAC Name: 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
• SMILES: COc1ccc(Cn2cc(C(=O)Nc3nc(-c4ccccn4)cs3)cn2)cc1
• InChI: InChI=1S/C20H17N5O2S/c1-27-16-7-5-14(6-8-16)11-25-12-15(10-22-25)19(26)24-20-23-18(13-28-20)17-4-2-3-9-21-17/h2-10,12-13H,11H2,1H3,(H,23,24,26)
• InChIKey: NIVYKKJUHQHFCJ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.46
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 176859767) is 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)Nc3nc(-c4ccccn4)cs3)cn2)cc1.

What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

The InChIKey is NIVYKKJUHQHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-27-16-7-5-14(6-8-16)11-25-12-15(10-22-25)19(26)24-20-23-18(13-28-20)17-4-2-3-9-21-17/h2-10,12-13H,11H2,1H3,(H,23,24,26).

What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-methoxyphenyl)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 176859767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).