1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol

C19H23N3O2 — CID 125299062

IUPAC1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol
SMILESCN(C)CCCOc1nn(Cc2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C19H23N3O2/c1-21(2)11-6-12-24-19-17-13-16(23)9-10-18(17)22(20-19)14-15-7-4-3-5-8-15/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3
InChIKeyFSSMXPZYIVVKOO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.12
Rot. Bonds7

About 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol

1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol (PubChem CID 125299062) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol.

Molecular Properties

Compound Name1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol
PubChem CID125299062
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol
SMILESCN(C)CCCOc1nn(Cc2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C19H23N3O2/c1-21(2)11-6-12-24-19-17-13-16(23)9-10-18(17)22(20-19)14-15-7-4-3-5-8-15/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3
InChIKeyFSSMXPZYIVVKOO-UHFFFAOYSA-N
XLogP3.12
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol 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 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol?
The IUPAC name of 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol (CID 125299062) is 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol.
What is the SMILES notation for 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol?
The canonical SMILES for 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol is CN(C)CCCOc1nn(Cc2ccccc2)c2ccc(O)cc12.
What is the InChIKey of 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol?
The InChIKey is FSSMXPZYIVVKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(2)11-6-12-24-19-17-13-16(23)9-10-18(17)22(20-19)14-15-7-4-3-5-8-15/h3-5,7-10,13,23H,6,11-12,14H2,1-2H3.
What are the key properties of 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol?
1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol has a molecular weight of 325.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol is sourced from PubChem (CID 125299062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).