5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide

C15H9F3N4O3 — CID 5304147

IUPAC5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc2cn[nH]c12
InChIInChI=1S/C15H9F3N4O3/c16-15(17,18)9-2-1-3-10(5-9)20-14(23)12-6-11(22(24)25)4-8-7-19-21-13(8)12/h1-7H,(H,19,21)(H,20,23)
InChIKeyKAEURHVZLNJZIE-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.74
Rot. Bonds3

About 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide

5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide (PubChem CID 5304147) has the molecular formula C15H9F3N4O3 and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide
PubChem CID5304147
Molecular FormulaC15H9F3N4O3
Molecular Weight350.26 g/mol
Exact Mass350.06
IUPAC Name5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc2cn[nH]c12
InChIInChI=1S/C15H9F3N4O3/c16-15(17,18)9-2-1-3-10(5-9)20-14(23)12-6-11(22(24)25)4-8-7-19-21-13(8)12/h1-7H,(H,19,21)(H,20,23)
InChIKeyKAEURHVZLNJZIE-UHFFFAOYSA-N
XLogP3.74
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
4-nitro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 3942380
5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 47801183
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60589058
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549
N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12894406
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide?
The IUPAC name of 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide (CID 5304147) is 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide?
The canonical SMILES for 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])cc2cn[nH]c12.
What is the InChIKey of 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide?
The InChIKey is KAEURHVZLNJZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O3/c16-15(17,18)9-2-1-3-10(5-9)20-14(23)12-6-11(22(24)25)4-8-7-19-21-13(8)12/h1-7H,(H,19,21)(H,20,23).
What are the key properties of 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide?
5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[3-(trifluoromethyl)phenyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 5304147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).