N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide

C19H22F3N5O2S — CID 90602465

About N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 90602465) has the molecular formula C19H22F3N5O2S and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
• PubChem CID: 90602465
• Molecular Formula: C19H22F3N5O2S
• Molecular Weight: 441.48 g/mol
• Exact Mass: 441.14
• IUPAC Name: N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
• SMILES: CC(C)n1ccc(C(=O)N(CCN(C)C)c2nc3ccc(OC(F)(F)F)cc3s2)n1
• InChI: InChI=1S/C19H22F3N5O2S/c1-12(2)27-8-7-15(24-27)17(28)26(10-9-25(3)4)18-23-14-6-5-13(11-16(14)30-18)29-19(20,21)22/h5-8,11-12H,9-10H2,1-4H3
• InChIKey: KSVPWURWOCQZQC-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 63.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.48
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide (CID 90602465) is N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide is CC(C)n1ccc(C(=O)N(CCN(C)C)c2nc3ccc(OC(F)(F)F)cc3s2)n1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?

The InChIKey is KSVPWURWOCQZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2S/c1-12(2)27-8-7-15(24-27)17(28)26(10-9-25(3)4)18-23-14-6-5-13(11-16(14)30-18)29-19(20,21)22/h5-8,11-12H,9-10H2,1-4H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?

N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 441.48 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-1-propan-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 90602465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).