5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide

C16H15N5O3S — CID 50960866

About 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide

5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 50960866) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 50960866
• Molecular Formula: C16H15N5O3S
• Molecular Weight: 357.40 g/mol
• Exact Mass: 357.09
• IUPAC Name: 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide
• SMILES: COc1cccc(-c2[nH]ncc2C(=O)NCC(=O)Nc2nccs2)c1
• InChI: InChI=1S/C16H15N5O3S/c1-24-11-4-2-3-10(7-11)14-12(8-19-21-14)15(23)18-9-13(22)20-16-17-5-6-25-16/h2-8H,9H2,1H3,(H,18,23)(H,19,21)(H,17,20,22)
• InChIKey: YSCVCYPORVLLGL-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 109.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.40
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide (CID 50960866) is 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide is COc1cccc(-c2[nH]ncc2C(=O)NCC(=O)Nc2nccs2)c1.

What is the InChIKey of 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide?

The InChIKey is YSCVCYPORVLLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-24-11-4-2-3-10(7-11)14-12(8-19-21-14)15(23)18-9-13(22)20-16-17-5-6-25-16/h2-8H,9H2,1H3,(H,18,23)(H,19,21)(H,17,20,22).

What are the key properties of 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide?

5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 50960866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).