N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide

C16H14F8N8O — CID 162617532

About N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide

N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide (PubChem CID 162617532) has the molecular formula C16H14F8N8O and a molecular weight of 486.33 g/mol. Its IUPAC name is N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide
• PubChem CID: 162617532
• Molecular Formula: C16H14F8N8O
• Molecular Weight: 486.33 g/mol
• Exact Mass: 486.12
• IUPAC Name: N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide
• SMILES: Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1-n1cc(/N=C/C(=NN)C(=O)NC2CC2)cn1
• InChI: InChI=1S/C16H14F8N8O/c1-31-13(10(15(19,20)21)11(30-31)14(17,18)16(22,23)24)32-6-8(4-27-32)26-5-9(29-25)12(33)28-7-2-3-7/h4-7H,2-3,25H2,1H3,(H,28,33)/b26-5+,29-9?
• InChIKey: VLEPQLSGPKXSEZ-YOTRPLPHSA-N
• XLogP: 2.57
• TPSA: 115.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.33
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide?

The IUPAC name of N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide (CID 162617532) is N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide.

What is the SMILES notation for N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide?

The canonical SMILES for N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide is Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1-n1cc(/N=C/C(=NN)C(=O)NC2CC2)cn1.

What is the InChIKey of N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide?

The InChIKey is VLEPQLSGPKXSEZ-YOTRPLPHSA-N. The full InChI is InChI=1S/C16H14F8N8O/c1-31-13(10(15(19,20)21)11(30-31)14(17,18)16(22,23)24)32-6-8(4-27-32)26-5-9(29-25)12(33)28-7-2-3-7/h4-7H,2-3,25H2,1H3,(H,28,33)/b26-5+,29-9?.

What are the key properties of N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide?

N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide has a molecular weight of 486.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-hydrazinylidene-3-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]iminopropanamide is sourced from PubChem (CID 162617532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).