5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide

C18H19BrN4O2S — CID 95749537

About 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 95749537) has the molecular formula C18H19BrN4O2S and a molecular weight of 435.35 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
• PubChem CID: 95749537
• Molecular Formula: C18H19BrN4O2S
• Molecular Weight: 435.35 g/mol
• Exact Mass: 434.04
• IUPAC Name: 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
• SMILES: Cc1nn(Cc2ccc(C(=O)NCc3csc(C4CC4)n3)o2)c(C)c1Br
• InChI: InChI=1S/C18H19BrN4O2S/c1-10-16(19)11(2)23(22-10)8-14-5-6-15(25-14)17(24)20-7-13-9-26-18(21-13)12-3-4-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,20,24)
• InChIKey: YMMZSCLWOJKMDY-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.35
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide?

The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide (CID 95749537) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide?

The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)NCc3csc(C4CC4)n3)o2)c(C)c1Br.

What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide?

The InChIKey is YMMZSCLWOJKMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2S/c1-10-16(19)11(2)23(22-10)8-14-5-6-15(25-14)17(24)20-7-13-9-26-18(21-13)12-3-4-12/h5-6,9,12H,3-4,7-8H2,1-2H3,(H,20,24).

What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide?

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 435.35 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 95749537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).