4-(1-benzylindazol-3-yl)benzoic acid

C21H16N2O2 — CID 10936347

IUPAC4-(1-benzylindazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H16N2O2/c24-21(25)17-12-10-16(11-13-17)20-18-8-4-5-9-19(18)23(22-20)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)
InChIKeyLTEBBLMZCSMKFF-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.45
Rot. Bonds4

About 4-(1-benzylindazol-3-yl)benzoic acid

4-(1-benzylindazol-3-yl)benzoic acid (PubChem CID 10936347) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(1-benzylindazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(1-benzylindazol-3-yl)benzoic acid
PubChem CID10936347
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-(1-benzylindazol-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H16N2O2/c24-21(25)17-12-10-16(11-13-17)20-18-8-4-5-9-19(18)23(22-20)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25)
InChIKeyLTEBBLMZCSMKFF-UHFFFAOYSA-N
XLogP4.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylindazol-3-yl)benzoic acid?
The IUPAC name of 4-(1-benzylindazol-3-yl)benzoic acid (CID 10936347) is 4-(1-benzylindazol-3-yl)benzoic acid.
What is the SMILES notation for 4-(1-benzylindazol-3-yl)benzoic acid?
The canonical SMILES for 4-(1-benzylindazol-3-yl)benzoic acid is O=C(O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-(1-benzylindazol-3-yl)benzoic acid?
The InChIKey is LTEBBLMZCSMKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21(25)17-12-10-16(11-13-17)20-18-8-4-5-9-19(18)23(22-20)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,24,25).
What are the key properties of 4-(1-benzylindazol-3-yl)benzoic acid?
4-(1-benzylindazol-3-yl)benzoic acid has a molecular weight of 328.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylindazol-3-yl)benzoic acid is sourced from PubChem (CID 10936347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).