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

C21H15N3O3 — CID 22012959

IUPAC4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
SMILESNC(=O)c1ccc(-n2nc(-c3ccc(C(=O)O)cc3)c3ccccc32)cc1
InChIInChI=1S/C21H15N3O3/c22-20(25)14-9-11-16(12-10-14)24-18-4-2-1-3-17(18)19(23-24)13-5-7-15(8-6-13)21(26)27/h1-12H,(H2,22,25)(H,26,27)
InChIKeyBVYJDLJNJISFHL-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.49
Rot. Bonds4

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

4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid (PubChem CID 22012959) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
PubChem CID22012959
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
SMILESNC(=O)c1ccc(-n2nc(-c3ccc(C(=O)O)cc3)c3ccccc32)cc1
InChIInChI=1S/C21H15N3O3/c22-20(25)14-9-11-16(12-10-14)24-18-4-2-1-3-17(18)19(23-24)13-5-7-15(8-6-13)21(26)27/h1-12H,(H2,22,25)(H,26,27)
InChIKeyBVYJDLJNJISFHL-UHFFFAOYSA-N
XLogP3.49
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid
CID 91487700
[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium
CID 59960131
4-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]benzoic acid
CID 16772339
4-(3-cyanoindazol-1-yl)benzoic acid
CID 16678790
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
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-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
4-(1-phenylindazol-3-yl)benzonitrile
CID 57379769
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 10215228
4-[4-[4-(4-cyanophenoxy)phenyl]-1-oxophthalazin-2-yl]benzoic acid
CID 102372524
1,3-dipyridin-3-ylindazole-5-carboxamide
CID 174835120

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid?
The IUPAC name of 4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid (CID 22012959) is 4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid?
The canonical SMILES for 4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid is NC(=O)c1ccc(-n2nc(-c3ccc(C(=O)O)cc3)c3ccccc32)cc1.
What is the InChIKey of 4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid?
The InChIKey is BVYJDLJNJISFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c22-20(25)14-9-11-16(12-10-14)24-18-4-2-1-3-17(18)19(23-24)13-5-7-15(8-6-13)21(26)27/h1-12H,(H2,22,25)(H,26,27).
What are the key properties of 4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid?
4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid has a molecular weight of 357.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid is sourced from PubChem (CID 22012959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).