2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide

C24H18FN5O2 — CID 26799380

About 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide

2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide (PubChem CID 26799380) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

• Compound Name: 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
• PubChem CID: 26799380
• Molecular Formula: C24H18FN5O2
• Molecular Weight: 427.44 g/mol
• Exact Mass: 427.14
• IUPAC Name: 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
• SMILES: O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NNC(=O)c1ccccc1F
• InChI: InChI=1S/C24H18FN5O2/c25-21-11-5-4-10-20(21)24(32)28-27-22(31)13-12-18-16-30(19-8-2-1-3-9-19)29-23(18)17-7-6-14-26-15-17/h1-16H,(H,27,31)(H,28,32)/b13-12+
• InChIKey: MQMMOCQLVYJWHY-OUKQBFOZSA-N
• XLogP: 3.55
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.44
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?

The IUPAC name of 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide (CID 26799380) is 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide.

What is the SMILES notation for 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?

The canonical SMILES for 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)NNC(=O)c1ccccc1F.

What is the InChIKey of 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?

The InChIKey is MQMMOCQLVYJWHY-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H18FN5O2/c25-21-11-5-4-10-20(21)24(32)28-27-22(31)13-12-18-16-30(19-8-2-1-3-9-19)29-23(18)17-7-6-14-26-15-17/h1-16H,(H,27,31)(H,28,32)/b13-12+.

What are the key properties of 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?

2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 427.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N'-[(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 26799380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).