N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

C23H24FN5OS — CID 43964992

About N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 43964992) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
• PubChem CID: 43964992
• Molecular Formula: C23H24FN5OS
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.17
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cnn1-c1ccccc1
• InChI: InChI=1S/C23H24FN5OS/c1-16-19(15-25-29(16)18-8-5-4-6-9-18)22(30)28(13-7-12-27(2)3)23-26-20-11-10-17(24)14-21(20)31-23/h4-6,8-11,14-15H,7,12-13H2,1-3H3
• InChIKey: XOKSPPKHAHWKCF-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 54.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 43964992) is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cnn1-c1ccccc1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?

The InChIKey is XOKSPPKHAHWKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c1-16-19(15-25-29(16)18-8-5-4-6-9-18)22(30)28(13-7-12-27(2)3)23-26-20-11-10-17(24)14-21(20)31-23/h4-6,8-11,14-15H,7,12-13H2,1-3H3.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide?

N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 43964992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).