4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid

C20H15N3O3 — CID 91487700

IUPAC4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nc(-c3ccc(NO)cc3)c3ccccc32)cc1
InChIInChI=1S/C20H15N3O3/c24-20(25)14-7-11-16(12-8-14)23-18-4-2-1-3-17(18)19(21-23)13-5-9-15(22-26)10-6-13/h1-12,22,26H,(H,24,25)
InChIKeyKGQJNIJTTCFWFJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.19
Rot. Bonds4

About 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid

4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid (PubChem CID 91487700) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid
PubChem CID91487700
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2nc(-c3ccc(NO)cc3)c3ccccc32)cc1
InChIInChI=1S/C20H15N3O3/c24-20(25)14-7-11-16(12-8-14)23-18-4-2-1-3-17(18)19(21-23)13-5-9-15(22-26)10-6-13/h1-12,22,26H,(H,24,25)
InChIKeyKGQJNIJTTCFWFJ-UHFFFAOYSA-N
XLogP4.19
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
CID 22012959
[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium
CID 59960131
4-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]benzoic acid
CID 16772339
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
4-(3-cyanoindazol-1-yl)benzoic acid
CID 16678790
4-[4-[4-[4-(4-carboxyphenoxy)phenyl]phenyl]-1-oxophthalazin-2-yl]benzoic acid
CID 100961465
3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
CID 102441291
4-(1-phenylindazol-3-yl)benzonitrile
CID 57379769
2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
CID 139237980
4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 10215228
4-[4-[4-(4-cyanophenoxy)phenyl]-1-oxophthalazin-2-yl]benzoic acid
CID 102372524

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid?
The IUPAC name of 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid (CID 91487700) is 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid?
The canonical SMILES for 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid is O=C(O)c1ccc(-n2nc(-c3ccc(NO)cc3)c3ccccc32)cc1.
What is the InChIKey of 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid?
The InChIKey is KGQJNIJTTCFWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-20(25)14-7-11-16(12-8-14)23-18-4-2-1-3-17(18)19(21-23)13-5-9-15(22-26)10-6-13/h1-12,22,26H,(H,24,25).
What are the key properties of 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid?
4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid has a molecular weight of 345.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid is sourced from PubChem (CID 91487700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).