2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C19H17BrF3N5O3S2 — CID 19532722

About 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 19532722) has the molecular formula C19H17BrF3N5O3S2 and a molecular weight of 564.41 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
• PubChem CID: 19532722
• Molecular Formula: C19H17BrF3N5O3S2
• Molecular Weight: 564.41 g/mol
• Exact Mass: 562.99
• IUPAC Name: 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
• SMILES: CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1nc(C(F)(F)F)c(Br)c1C1CC1
• InChI: InChI=1S/C19H17BrF3N5O3S2/c1-10(28-15(11-2-3-11)14(20)16(26-28)19(21,22)23)17(29)25-12-4-6-13(7-5-12)33(30,31)27-18-24-8-9-32-18/h4-11H,2-3H2,1H3,(H,24,27)(H,25,29)
• InChIKey: QLDWYVQJVCVPDB-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 105.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.41
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?

The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 19532722) is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?

The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CC(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)n1nc(C(F)(F)F)c(Br)c1C1CC1.

What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?

The InChIKey is QLDWYVQJVCVPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF3N5O3S2/c1-10(28-15(11-2-3-11)14(20)16(26-28)19(21,22)23)17(29)25-12-4-6-13(7-5-12)33(30,31)27-18-24-8-9-32-18/h4-11H,2-3H2,1H3,(H,24,27)(H,25,29).

What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 564.41 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 19532722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).