2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide

C14H7F8N5O — CID 170622715

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide
SMILESNNC(=O)c1cc2c3nc(C(F)(F)C(F)(F)F)cc(C(F)(F)F)c3ccn2n1
InChIInChI=1S/C14H7F8N5O/c15-12(16,14(20,21)22)9-3-6(13(17,18)19)5-1-2-27-8(10(5)24-9)4-7(26-27)11(28)25-23/h1-4H,23H2,(H,25,28)
InChIKeyZSKLNVIZLNZXLF-UHFFFAOYSA-N
MW413.23 g/mol
LogP3.16
Rot. Bonds2

About 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide

2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide (PubChem CID 170622715) has the molecular formula C14H7F8N5O and a molecular weight of 413.23 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide
PubChem CID170622715
Molecular FormulaC14H7F8N5O
Molecular Weight413.23 g/mol
Exact Mass413.05
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide
SMILESNNC(=O)c1cc2c3nc(C(F)(F)C(F)(F)F)cc(C(F)(F)F)c3ccn2n1
InChIInChI=1S/C14H7F8N5O/c15-12(16,14(20,21)22)9-3-6(13(17,18)19)5-1-2-27-8(10(5)24-9)4-7(26-27)11(28)25-23/h1-4H,23H2,(H,25,28)
InChIKeyZSKLNVIZLNZXLF-UHFFFAOYSA-N
XLogP3.16
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide (CID 170622715) is 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide is NNC(=O)c1cc2c3nc(C(F)(F)C(F)(F)F)cc(C(F)(F)F)c3ccn2n1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide?
The InChIKey is ZSKLNVIZLNZXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F8N5O/c15-12(16,14(20,21)22)9-3-6(13(17,18)19)5-1-2-27-8(10(5)24-9)4-7(26-27)11(28)25-23/h1-4H,23H2,(H,25,28).
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide?
2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide has a molecular weight of 413.23 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazolo[1,5-h][1,7]naphthyridine-9-carbohydrazide is sourced from PubChem (CID 170622715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).