N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C25H29N5O3S — CID 43965182

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 43965182) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
• PubChem CID: 43965182
• Molecular Formula: C25H29N5O3S
• Molecular Weight: 479.61 g/mol
• Exact Mass: 479.20
• IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
• SMILES: COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3cnn(-c4ccccc4)c3C)nc12
• InChI: InChI=1S/C25H29N5O3S/c1-17-19(16-26-30(17)18-10-7-6-8-11-18)24(31)29(15-9-14-28(2)3)25-27-22-20(32-4)12-13-21(33-5)23(22)34-25/h6-8,10-13,16H,9,14-15H2,1-5H3
• InChIKey: ZGSBEEOZTAIXML-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 72.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.61
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide?

The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 43965182) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3cnn(-c4ccccc4)c3C)nc12.

What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide?

The InChIKey is ZGSBEEOZTAIXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-17-19(16-26-30(17)18-10-7-6-8-11-18)24(31)29(15-9-14-28(2)3)25-27-22-20(32-4)12-13-21(33-5)23(22)34-25/h6-8,10-13,16H,9,14-15H2,1-5H3.

What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide?

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 43965182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).