N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide

C24H22N6O5S — CID 90571164

About N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 90571164) has the molecular formula C24H22N6O5S and a molecular weight of 506.54 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
• PubChem CID: 90571164
• Molecular Formula: C24H22N6O5S
• Molecular Weight: 506.54 g/mol
• Exact Mass: 506.14
• IUPAC Name: N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
• SMILES: COc1cc(-c2cc(C(=O)Nc3cc(C)nn3-c3nc(-c4ccco4)cs3)[nH]n2)cc(OC)c1OC
• InChI: InChI=1S/C24H22N6O5S/c1-13-8-21(30(29-13)24-25-17(12-36-24)18-6-5-7-35-18)26-23(31)16-11-15(27-28-16)14-9-19(32-2)22(34-4)20(10-14)33-3/h5-12H,1-4H3,(H,26,31)(H,27,28)
• InChIKey: XURDCCQBIKXOCW-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 129.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.54
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 90571164) is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cc(-c2cc(C(=O)Nc3cc(C)nn3-c3nc(-c4ccco4)cs3)[nH]n2)cc(OC)c1OC.

What is the InChIKey of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?

The InChIKey is XURDCCQBIKXOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O5S/c1-13-8-21(30(29-13)24-25-17(12-36-24)18-6-5-7-35-18)26-23(31)16-11-15(27-28-16)14-9-19(32-2)22(34-4)20(10-14)33-3/h5-12H,1-4H3,(H,26,31)(H,27,28).

What are the key properties of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 506.54 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90571164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).