4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide

C20H18FN5O2 — CID 146128414

About 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide (PubChem CID 146128414) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide
• PubChem CID: 146128414
• Molecular Formula: C20H18FN5O2
• Molecular Weight: 379.40 g/mol
• Exact Mass: 379.14
• IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide
• SMILES: Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(-c4ccco4)nn3C)cc2F)n1
• InChI: InChI=1S/C20H18FN5O2/c1-12-9-13(2)26(23-12)17-7-6-14(10-15(17)21)20(27)22-19-11-16(24-25(19)3)18-5-4-8-28-18/h4-11H,1-3H3,(H,22,27)
• InChIKey: YMSBVZVDEXKLPC-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 77.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.40
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide?

The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide (CID 146128414) is 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide.

What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide?

The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(-c4ccco4)nn3C)cc2F)n1.

What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide?

The InChIKey is YMSBVZVDEXKLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-12-9-13(2)26(23-12)17-7-6-14(10-15(17)21)20(27)22-19-11-16(24-25(19)3)18-5-4-8-28-18/h4-11H,1-3H3,(H,22,27).

What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide?

4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide has a molecular weight of 379.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]benzamide is sourced from PubChem (CID 146128414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).