3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole

C26H18F2N6O2 — CID 158370037

IUPAC3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole
SMILESNc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.O=[N+]([O-])c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C13H8FN3O2.C13H10FN3/c14-9-3-1-8(2-4-9)13-11-7-10(17(18)19)5-6-12(11)15-16-13;14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)16-17-13/h1-7H,(H,15,16);1-7H,15H2,(H,16,17)
InChIKeyGUMPUYSXZFJKFW-UHFFFAOYSA-N
MW484.47 g/mol
LogP6.23
Rot. Bonds3

About 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole

3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole (PubChem CID 158370037) has the molecular formula C26H18F2N6O2 and a molecular weight of 484.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole
PubChem CID158370037
Molecular FormulaC26H18F2N6O2
Molecular Weight484.47 g/mol
Exact Mass484.15
IUPAC Name3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole
SMILESNc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.O=[N+]([O-])c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C13H8FN3O2.C13H10FN3/c14-9-3-1-8(2-4-9)13-11-7-10(17(18)19)5-6-12(11)15-16-13;14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)16-17-13/h1-7H,(H,15,16);1-7H,15H2,(H,16,17)
InChIKeyGUMPUYSXZFJKFW-UHFFFAOYSA-N
XLogP6.23
TPSA126.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.47
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Nitro-3-phenyl-1H-indazole
CID 617444
3-(3-nitrophenyl)-1H-indazole
CID 134147571
3-methyl-5-nitro-1H-indazole
CID 11229104
5-Nitro-3-(trifluoromethyl)-1H-indazole
CID 54105165
6,7-difluoro-3-methyl-5-nitro-2H-indazole
CID 44614253
3-fluoro-5-nitro-1H-indazole
CID 68616524
3-naphthalen-1-yl-5-nitro-1H-indazole
CID 20789028
3-naphthalen-2-yl-5-nitro-1H-indazole
CID 22479757
5-Nitro-3-(3-(trifluoromethyl)phenyl)-1H-indazole
CID 22480016
5-[(1E)-2-(3-Nitrophenyl)vinyl]-3-(4-fluorophenyl)-1H-indazole
CID 22480184
3-(2'-Nitrophenyl)-1h-indazole
CID 425529
3-(4-Nitrobenzyl)indazole
CID 15354315

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole?
The IUPAC name of 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole (CID 158370037) is 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole?
The canonical SMILES for 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole is Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.O=[N+]([O-])c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole?
The InChIKey is GUMPUYSXZFJKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2.C13H10FN3/c14-9-3-1-8(2-4-9)13-11-7-10(17(18)19)5-6-12(11)15-16-13;14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)16-17-13/h1-7H,(H,15,16);1-7H,15H2,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole?
3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole has a molecular weight of 484.47 g/mol, XLogP of 6.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1H-indazol-5-amine;3-(4-fluorophenyl)-5-nitro-1H-indazole is sourced from PubChem (CID 158370037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).