4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid

C17H15N3O3 — CID 154781594

IUPAC4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
SMILESO=C(CCc1ccc(C(=O)O)cc1)Nc1n[nH]c2ccccc12
InChIInChI=1S/C17H15N3O3/c21-15(10-7-11-5-8-12(9-6-11)17(22)23)18-16-13-3-1-2-4-14(13)19-20-16/h1-6,8-9H,7,10H2,(H,22,23)(H2,18,19,20,21)
InChIKeyWDVVRGKQYNSSQF-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.83
Rot. Bonds5

About 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid

4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid (PubChem CID 154781594) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
PubChem CID154781594
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
SMILESO=C(CCc1ccc(C(=O)O)cc1)Nc1n[nH]c2ccccc12
InChIInChI=1S/C17H15N3O3/c21-15(10-7-11-5-8-12(9-6-11)17(22)23)18-16-13-3-1-2-4-14(13)19-20-16/h1-6,8-9H,7,10H2,(H,22,23)(H2,18,19,20,21)
InChIKeyWDVVRGKQYNSSQF-UHFFFAOYSA-N
XLogP2.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid?
The IUPAC name of 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid (CID 154781594) is 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid.
What is the SMILES notation for 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid?
The canonical SMILES for 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid is O=C(CCc1ccc(C(=O)O)cc1)Nc1n[nH]c2ccccc12.
What is the InChIKey of 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid?
The InChIKey is WDVVRGKQYNSSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-15(10-7-11-5-8-12(9-6-11)17(22)23)18-16-13-3-1-2-4-14(13)19-20-16/h1-6,8-9H,7,10H2,(H,22,23)(H2,18,19,20,21).
What are the key properties of 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid?
4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid has a molecular weight of 309.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid is sourced from PubChem (CID 154781594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).