5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide

C15H9F3N4O3 — CID 3599078

IUPAC5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H9F3N4O3/c16-15(17,18)10-2-1-3-11(7-10)20-14(23)21-13-5-4-12(22(24)25)6-9(13)8-19-21/h1-8H,(H,20,23)
InChIKeyZOAYZVQIBHXJEF-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.04
Rot. Bonds2

About 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide

5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide (PubChem CID 3599078) has the molecular formula C15H9F3N4O3 and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide
PubChem CID3599078
Molecular FormulaC15H9F3N4O3
Molecular Weight350.26 g/mol
Exact Mass350.06
IUPAC Name5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)n1ncc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C15H9F3N4O3/c16-15(17,18)10-2-1-3-11(7-10)20-14(23)21-13-5-4-12(22(24)25)6-9(13)8-19-21/h1-8H,(H,20,23)
InChIKeyZOAYZVQIBHXJEF-UHFFFAOYSA-N
XLogP4.04
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide?
The IUPAC name of 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide (CID 3599078) is 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide.
What is the SMILES notation for 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide?
The canonical SMILES for 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)n1ncc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide?
The InChIKey is ZOAYZVQIBHXJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O3/c16-15(17,18)10-2-1-3-11(7-10)20-14(23)21-13-5-4-12(22(24)25)6-9(13)8-19-21/h1-8H,(H,20,23).
What are the key properties of 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide?
5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[3-(trifluoromethyl)phenyl]indazole-1-carboxamide is sourced from PubChem (CID 3599078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).