butyl 4-(3-methoxyindazol-1-yl)benzoate

C19H20N2O3 — CID 30388

IUPACbutyl 4-(3-methoxyindazol-1-yl)benzoate
SMILESCCCCOC(=O)c1ccc(-n2nc(OC)c3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-3-4-13-24-19(22)14-9-11-15(12-10-14)21-17-8-6-5-7-16(17)18(20-21)23-2/h5-12H,3-4,13H2,1-2H3
InChIKeyLYGMPMRHVUJMFC-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.99
Rot. Bonds6

About butyl 4-(3-methoxyindazol-1-yl)benzoate

butyl 4-(3-methoxyindazol-1-yl)benzoate (PubChem CID 30388) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is butyl 4-(3-methoxyindazol-1-yl)benzoate.

Molecular Properties

Compound Namebutyl 4-(3-methoxyindazol-1-yl)benzoate
PubChem CID30388
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namebutyl 4-(3-methoxyindazol-1-yl)benzoate
SMILESCCCCOC(=O)c1ccc(-n2nc(OC)c3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-3-4-13-24-19(22)14-9-11-15(12-10-14)21-17-8-6-5-7-16(17)18(20-21)23-2/h5-12H,3-4,13H2,1-2H3
InChIKeyLYGMPMRHVUJMFC-UHFFFAOYSA-N
XLogP3.99
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 4-(3-methoxyindazol-1-yl)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

(111C)butyl benzoate
CID 11994383
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
butyl benzoate;methane
CID 174523775
butyl benzoate;dihydrochloride
CID 141031125
icosyl 4-methoxybenzoate
CID 71438594
butyl 4-(hydroxymethyl)benzoate
CID 54464600
butyl benzoate;hexyl benzoate
CID 22163024
1,1'-biphenyl;butyl benzoate
CID 67401065
butyl 4-[13-(4-butoxycarbonylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]benzoate
CID 3119628
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
butyl 4-(4-butoxycarbonylphenoxy)benzoate
CID 139890645
(4-butoxycarbonylphenyl) 3-methyl-4-oxophthalazine-1-carboxylate
CID 8802715

Frequently Asked Questions

What is the IUPAC name of butyl 4-(3-methoxyindazol-1-yl)benzoate?
The IUPAC name of butyl 4-(3-methoxyindazol-1-yl)benzoate (CID 30388) is butyl 4-(3-methoxyindazol-1-yl)benzoate.
What is the SMILES notation for butyl 4-(3-methoxyindazol-1-yl)benzoate?
The canonical SMILES for butyl 4-(3-methoxyindazol-1-yl)benzoate is CCCCOC(=O)c1ccc(-n2nc(OC)c3ccccc32)cc1.
What is the InChIKey of butyl 4-(3-methoxyindazol-1-yl)benzoate?
The InChIKey is LYGMPMRHVUJMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-4-13-24-19(22)14-9-11-15(12-10-14)21-17-8-6-5-7-16(17)18(20-21)23-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of butyl 4-(3-methoxyindazol-1-yl)benzoate?
butyl 4-(3-methoxyindazol-1-yl)benzoate has a molecular weight of 324.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(3-methoxyindazol-1-yl)benzoate is sourced from PubChem (CID 30388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).