N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

C27H23N5O3S — CID 43034340

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 43034340) has the molecular formula C27H23N5O3S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
• PubChem CID: 43034340
• Molecular Formula: C27H23N5O3S
• Molecular Weight: 497.58 g/mol
• Exact Mass: 497.15
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)n2)o1
• InChI: InChI=1S/C27H23N5O3S/c1-17-8-10-19(11-9-17)25-22(15-32(31-25)20-6-4-3-5-7-20)26(34)30-27-29-23(16-36-27)24-13-12-21(35-24)14-28-18(2)33/h3-13,15-16H,14H2,1-2H3,(H,28,33)(H,29,30,34)
• InChIKey: KUFWAMPKLICILB-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 102.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.58
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 43034340) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)n2)o1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?

The InChIKey is KUFWAMPKLICILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3S/c1-17-8-10-19(11-9-17)25-22(15-32(31-25)20-6-4-3-5-7-20)26(34)30-27-29-23(16-36-27)24-13-12-21(35-24)14-28-18(2)33/h3-13,15-16H,14H2,1-2H3,(H,28,33)(H,29,30,34).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 43034340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).