5-[(4-nitrophenyl)methoxy]-1H-indazole

C14H11N3O3 — CID 169488893

IUPAC5-[(4-nitrophenyl)methoxy]-1H-indazole
SMILESO=[N+]([O-])c1ccc(COc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C14H11N3O3/c18-17(19)12-3-1-10(2-4-12)9-20-13-5-6-14-11(7-13)8-15-16-14/h1-8H,9H2,(H,15,16)
InChIKeyVPSBJHPDGVRGIL-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.05
Rot. Bonds4

About 5-[(4-nitrophenyl)methoxy]-1H-indazole

5-[(4-nitrophenyl)methoxy]-1H-indazole (PubChem CID 169488893) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[(4-nitrophenyl)methoxy]-1H-indazole.

Molecular Properties

Compound Name5-[(4-nitrophenyl)methoxy]-1H-indazole
PubChem CID169488893
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-[(4-nitrophenyl)methoxy]-1H-indazole
SMILESO=[N+]([O-])c1ccc(COc2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C14H11N3O3/c18-17(19)12-3-1-10(2-4-12)9-20-13-5-6-14-11(7-13)8-15-16-14/h1-8H,9H2,(H,15,16)
InChIKeyVPSBJHPDGVRGIL-UHFFFAOYSA-N
XLogP3.05
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
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

5-Methoxy-1H-indazole
CID 13346860
5-(1-benzylpiperidin-4-yloxy)-1H-indazole
CID 44421888
5-(1-benzylpiperidin-3-yloxy)-1H-indazole
CID 44421889
Mps1 Inhibitor I
CID 73345836
5-(benzyloxy)-1H-indazole
CID 12798088
6-(3-ethoxyphenyl)-1H-indazole
CID 145952450
6-(Benzyloxy)-1H-indazole
CID 11535911
6-(3-ethoxy-2-fluorophenyl)-1H-indazole
CID 145949598
7-(Benzyloxy)-1H-indazole
CID 44270532
5-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]-1H-indazole
CID 178309773
Ethanamine, N,N-dimethyl-2-(1H-indazol-5-yloxy)-, dihydrochloride
CID 215749
5-Methoxy-1H-indazol-6-yl-6-boronic acid
CID 99942155

Frequently Asked Questions

What is the IUPAC name of 5-[(4-nitrophenyl)methoxy]-1H-indazole?
The IUPAC name of 5-[(4-nitrophenyl)methoxy]-1H-indazole (CID 169488893) is 5-[(4-nitrophenyl)methoxy]-1H-indazole.
What is the SMILES notation for 5-[(4-nitrophenyl)methoxy]-1H-indazole?
The canonical SMILES for 5-[(4-nitrophenyl)methoxy]-1H-indazole is O=[N+]([O-])c1ccc(COc2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 5-[(4-nitrophenyl)methoxy]-1H-indazole?
The InChIKey is VPSBJHPDGVRGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-17(19)12-3-1-10(2-4-12)9-20-13-5-6-14-11(7-13)8-15-16-14/h1-8H,9H2,(H,15,16).
What are the key properties of 5-[(4-nitrophenyl)methoxy]-1H-indazole?
5-[(4-nitrophenyl)methoxy]-1H-indazole has a molecular weight of 269.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nitrophenyl)methoxy]-1H-indazole is sourced from PubChem (CID 169488893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).