1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

C22H16FN7O2 — CID 78849325

About 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 78849325) has the molecular formula C22H16FN7O2 and a molecular weight of 429.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
• PubChem CID: 78849325
• Molecular Formula: C22H16FN7O2
• Molecular Weight: 429.42 g/mol
• Exact Mass: 429.13
• IUPAC Name: 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
• SMILES: O=C(NCc1nc(-c2ccncc2)no1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
• InChI: InChI=1S/C22H16FN7O2/c23-16-3-5-17(6-4-16)30-22(29-11-1-2-12-29)18(13-26-30)21(31)25-14-19-27-20(28-32-19)15-7-9-24-10-8-15/h1-13H,14H2,(H,25,31)
• InChIKey: HKSMANDRTDOGLA-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 103.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.42
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 78849325) is 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NCc1nc(-c2ccncc2)no1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?

The InChIKey is HKSMANDRTDOGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN7O2/c23-16-3-5-17(6-4-16)30-22(29-11-1-2-12-29)18(13-26-30)21(31)25-14-19-27-20(28-32-19)15-7-9-24-10-8-15/h1-13H,14H2,(H,25,31).

What are the key properties of 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?

1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 429.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 78849325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).