N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H16BrN5OS — CID 55993312

About N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55993312) has the molecular formula C19H16BrN5OS and a molecular weight of 442.34 g/mol. Its IUPAC name is N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55993312
• Molecular Formula: C19H16BrN5OS
• Molecular Weight: 442.34 g/mol
• Exact Mass: 441.03
• IUPAC Name: N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(Cc2cnc(NC(=O)c3c(C)nn4cccnc34)s2)ccc1Br
• InChI: InChI=1S/C19H16BrN5OS/c1-11-8-13(4-5-15(11)20)9-14-10-22-19(27-14)23-18(26)16-12(2)24-25-7-3-6-21-17(16)25/h3-8,10H,9H2,1-2H3,(H,22,23,26)
• InChIKey: AQEUWENHXTYWED-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.34
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55993312) is N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(Cc2cnc(NC(=O)c3c(C)nn4cccnc34)s2)ccc1Br.

What is the InChIKey of N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AQEUWENHXTYWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5OS/c1-11-8-13(4-5-15(11)20)9-14-10-22-19(27-14)23-18(26)16-12(2)24-25-7-3-6-21-17(16)25/h3-8,10H,9H2,1-2H3,(H,22,23,26).

What are the key properties of N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55993312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).