3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide

C22H17FN6O2S — CID 90571163

About 3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90571163) has the molecular formula C22H17FN6O2S and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
• PubChem CID: 90571163
• Molecular Formula: C22H17FN6O2S
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.11
• IUPAC Name: 3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide
• SMILES: Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)n(-c2nc(-c3ccco3)cs2)n1
• InChI: InChI=1S/C22H17FN6O2S/c1-13-10-20(29(26-13)22-24-17(12-32-22)19-4-3-9-31-19)25-21(30)18-11-16(27-28(18)2)14-5-7-15(23)8-6-14/h3-12H,1-2H3,(H,25,30)
• InChIKey: SMVMGBAODAFRMN-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 90.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide (CID 90571163) is 3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide.

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

The canonical SMILES for 3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)n(-c2nc(-c3ccco3)cs2)n1.

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

The InChIKey is SMVMGBAODAFRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O2S/c1-13-10-20(29(26-13)22-24-17(12-32-22)19-4-3-9-31-19)25-21(30)18-11-16(27-28(18)2)14-5-7-15(23)8-6-14/h3-12H,1-2H3,(H,25,30).

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

3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90571163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).