5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide

C17H20ClN5O3 — CID 78713976

About 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide

5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide (PubChem CID 78713976) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
• PubChem CID: 78713976
• Molecular Formula: C17H20ClN5O3
• Molecular Weight: 377.83 g/mol
• Exact Mass: 377.13
• IUPAC Name: 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
• SMILES: COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1C1NC(=O)CC(C)N1
• InChI: InChI=1S/C17H20ClN5O3/c1-9-7-15(24)21-17(19-9)23-14(6-10(2)22-23)20-16(25)12-8-11(18)4-5-13(12)26-3/h4-6,8-9,17,19H,7H2,1-3H3,(H,20,25)(H,21,24)
• InChIKey: SJPDPTBXGVMERP-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 97.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.83
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?

The IUPAC name of 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide (CID 78713976) is 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide.

What is the SMILES notation for 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?

The canonical SMILES for 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1C1NC(=O)CC(C)N1.

What is the InChIKey of 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?

The InChIKey is SJPDPTBXGVMERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O3/c1-9-7-15(24)21-17(19-9)23-14(6-10(2)22-23)20-16(25)12-8-11(18)4-5-13(12)26-3/h4-6,8-9,17,19H,7H2,1-3H3,(H,20,25)(H,21,24).

What are the key properties of 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide?

5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide has a molecular weight of 377.83 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 78713976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).