N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide

C26H24N4O3S — CID 41291123

About N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide

N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (PubChem CID 41291123) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
• PubChem CID: 41291123
• Molecular Formula: C26H24N4O3S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.16
• IUPAC Name: N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
• SMILES: COc1ccc(C2=NN(c3nc(-c4ccc(CNC(C)=O)cc4)cs3)[C@@H](c3ccco3)C2)cc1
• InChI: InChI=1S/C26H24N4O3S/c1-17(31)27-15-18-5-7-20(8-6-18)23-16-34-26(28-23)30-24(25-4-3-13-33-25)14-22(29-30)19-9-11-21(32-2)12-10-19/h3-13,16,24H,14-15H2,1-2H3,(H,27,31)/t24-/m1/s1
• InChIKey: NRFXDPWKZWMRCL-XMMPIXPASA-N
• XLogP: 5.40
• TPSA: 79.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?

The IUPAC name of N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (CID 41291123) is N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.

What is the SMILES notation for N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?

The canonical SMILES for N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is COc1ccc(C2=NN(c3nc(-c4ccc(CNC(C)=O)cc4)cs3)[C@@H](c3ccco3)C2)cc1.

What is the InChIKey of N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?

The InChIKey is NRFXDPWKZWMRCL-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-17(31)27-15-18-5-7-20(8-6-18)23-16-34-26(28-23)30-24(25-4-3-13-33-25)14-22(29-30)19-9-11-21(32-2)12-10-19/h3-13,16,24H,14-15H2,1-2H3,(H,27,31)/t24-/m1/s1.

What are the key properties of N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?

N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide has a molecular weight of 472.57 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 41291123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).