4-[3-(1H-indazol-5-ylamino)butyl]phenol

C17H19N3O — CID 2847661

IUPAC4-[3-(1H-indazol-5-ylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C17H19N3O/c1-12(2-3-13-4-7-16(21)8-5-13)19-15-6-9-17-14(10-15)11-18-20-17/h4-12,19,21H,2-3H2,1H3,(H,18,20)
InChIKeyDLPIJXYHYLZKPZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.70
Rot. Bonds5

About 4-[3-(1H-indazol-5-ylamino)butyl]phenol

4-[3-(1H-indazol-5-ylamino)butyl]phenol (PubChem CID 2847661) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[3-(1H-indazol-5-ylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(1H-indazol-5-ylamino)butyl]phenol
PubChem CID2847661
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[3-(1H-indazol-5-ylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C17H19N3O/c1-12(2-3-13-4-7-16(21)8-5-13)19-15-6-9-17-14(10-15)11-18-20-17/h4-12,19,21H,2-3H2,1H3,(H,18,20)
InChIKeyDLPIJXYHYLZKPZ-UHFFFAOYSA-N
XLogP3.70
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1H-indazol-5-ylamino)butyl]phenol 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-5-ylamino)butyl]phenol?
The IUPAC name of 4-[3-(1H-indazol-5-ylamino)butyl]phenol (CID 2847661) is 4-[3-(1H-indazol-5-ylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(1H-indazol-5-ylamino)butyl]phenol?
The canonical SMILES for 4-[3-(1H-indazol-5-ylamino)butyl]phenol is CC(CCc1ccc(O)cc1)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 4-[3-(1H-indazol-5-ylamino)butyl]phenol?
The InChIKey is DLPIJXYHYLZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(2-3-13-4-7-16(21)8-5-13)19-15-6-9-17-14(10-15)11-18-20-17/h4-12,19,21H,2-3H2,1H3,(H,18,20).
What are the key properties of 4-[3-(1H-indazol-5-ylamino)butyl]phenol?
4-[3-(1H-indazol-5-ylamino)butyl]phenol has a molecular weight of 281.36 g/mol, XLogP of 3.70, 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-5-ylamino)butyl]phenol is sourced from PubChem (CID 2847661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).