4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol

C15H15N3O2 — CID 43730995

IUPAC4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol
SMILESCC(Nc1cccc2cn[nH]c12)c1ccc(O)cc1O
InChIInChI=1S/C15H15N3O2/c1-9(12-6-5-11(19)7-14(12)20)17-13-4-2-3-10-8-16-18-15(10)13/h2-9,17,19-20H,1H3,(H,16,18)
InChIKeyKMVPYPDHDYJCIH-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.15
Rot. Bonds3

About 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol

4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol (PubChem CID 43730995) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol
PubChem CID43730995
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol
SMILESCC(Nc1cccc2cn[nH]c12)c1ccc(O)cc1O
InChIInChI=1S/C15H15N3O2/c1-9(12-6-5-11(19)7-14(12)20)17-13-4-2-3-10-8-16-18-15(10)13/h2-9,17,19-20H,1H3,(H,16,18)
InChIKeyKMVPYPDHDYJCIH-UHFFFAOYSA-N
XLogP3.15
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol 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

2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol
CID 43730963
N-[1-(2-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43730981
N-[1-(3-bromophenyl)ethyl]-1H-indazol-7-amine
CID 43730994
N-butan-2-yl-1H-indazol-7-amine
CID 43730948
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
CID 114082685
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzene-1,3-diol
CID 43540011
N-[(2R)-4-methylpentan-2-yl]-1H-indazol-7-amine
CID 93272922
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43788144
4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
CID 43195633
N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine
CID 43730801
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
4-(1-anilinoethyl)benzene-1,3-diol
CID 43189993

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol (CID 43730995) is 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol is CC(Nc1cccc2cn[nH]c12)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol?
The InChIKey is KMVPYPDHDYJCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9(12-6-5-11(19)7-14(12)20)17-13-4-2-3-10-8-16-18-15(10)13/h2-9,17,19-20H,1H3,(H,16,18).
What are the key properties of 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol?
4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol has a molecular weight of 269.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 43730995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).