N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C25H25F4N9O2 — CID 144934366

About N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 144934366) has the molecular formula C25H25F4N9O2 and a molecular weight of 559.53 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• PubChem CID: 144934366
• Molecular Formula: C25H25F4N9O2
• Molecular Weight: 559.53 g/mol
• Exact Mass: 559.21
• IUPAC Name: N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• SMILES: Cn1ccc(-c2cc(C(=O)Nc3cc(C/C(=N/N)NNCCO)nn3-c3ccc(F)cc3)ccc2C(F)(F)F)n1
• InChI: InChI=1S/C25H25F4N9O2/c1-37-10-8-21(36-37)19-12-15(2-7-20(19)25(27,28)29)24(40)32-23-14-17(13-22(33-30)34-31-9-11-39)35-38(23)18-5-3-16(26)4-6-18/h2-8,10,12,14,31,39H,9,11,13,30H2,1H3,(H,32,40)(H,33,34)
• InChIKey: PSWCZGXXUFPKDA-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 147.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.53
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 144934366) is N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cc(C/C(=N/N)NNCCO)nn3-c3ccc(F)cc3)ccc2C(F)(F)F)n1.

What is the InChIKey of N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The InChIKey is PSWCZGXXUFPKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N9O2/c1-37-10-8-21(36-37)19-12-15(2-7-20(19)25(27,28)29)24(40)32-23-14-17(13-22(33-30)34-31-9-11-39)35-38(23)18-5-3-16(26)4-6-18/h2-8,10,12,14,31,39H,9,11,13,30H2,1H3,(H,32,40)(H,33,34).

What are the key properties of N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 559.53 g/mol, XLogP of 2.58, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-fluorophenyl)-3-[(2Z)-2-hydrazinylidene-2-[2-(2-hydroxyethyl)hydrazinyl]ethyl]pyrazol-5-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 144934366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).