4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid

C17H15N3O3 — CID 166202110

IUPAC4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C17H15N3O3/c1-20(10-11-5-7-12(8-6-11)17(22)23)16(21)14-4-2-3-13-9-18-19-15(13)14/h2-9H,10H2,1H3,(H,18,19)(H,22,23)
InChIKeyGODIUKCJRCNYAY-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.53
Rot. Bonds4

About 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid

4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid (PubChem CID 166202110) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid
PubChem CID166202110
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C17H15N3O3/c1-20(10-11-5-7-12(8-6-11)17(22)23)16(21)14-4-2-3-13-9-18-19-15(13)14/h2-9H,10H2,1H3,(H,18,19)(H,22,23)
InChIKeyGODIUKCJRCNYAY-UHFFFAOYSA-N
XLogP2.53
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid (CID 166202110) is 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)C(=O)c1cccc2cn[nH]c12.
What is the InChIKey of 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid?
The InChIKey is GODIUKCJRCNYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-20(10-11-5-7-12(8-6-11)17(22)23)16(21)14-4-2-3-13-9-18-19-15(13)14/h2-9H,10H2,1H3,(H,18,19)(H,22,23).
What are the key properties of 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid?
4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1H-indazole-7-carbonyl(methyl)amino]methyl]benzoic acid is sourced from PubChem (CID 166202110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).