N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

C19H16FN5O2S — CID 43987124

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 43987124) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
• PubChem CID: 43987124
• Molecular Formula: C19H16FN5O2S
• Molecular Weight: 397.44 g/mol
• Exact Mass: 397.10
• IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
• SMILES: COc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2ccc(F)cc2s1
• InChI: InChI=1S/C19H16FN5O2S/c1-24-11-14(17(23-24)27-2)18(26)25(10-13-5-3-4-8-21-13)19-22-15-7-6-12(20)9-16(15)28-19/h3-9,11H,10H2,1-2H3
• InChIKey: BJDKCKLUFTWWQZ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 73.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?

The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide (CID 43987124) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)N(Cc1ccccn1)c1nc2ccc(F)cc2s1.

What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?

The InChIKey is BJDKCKLUFTWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-24-11-14(17(23-24)27-2)18(26)25(10-13-5-3-4-8-21-13)19-22-15-7-6-12(20)9-16(15)28-19/h3-9,11H,10H2,1-2H3.

What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide?

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 43987124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).