2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol

C16H17N3O2 — CID 43730963

IUPAC2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)Nc2cccc3cn[nH]c23)c1
InChIInChI=1S/C16H17N3O2/c1-10(13-8-12(21-2)6-7-15(13)20)18-14-5-3-4-11-9-17-19-16(11)14/h3-10,18,20H,1-2H3,(H,17,19)
InChIKeyNQWAPGXZDKXLEW-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.45
Rot. Bonds4

About 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol

2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol (PubChem CID 43730963) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol
PubChem CID43730963
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)Nc2cccc3cn[nH]c23)c1
InChIInChI=1S/C16H17N3O2/c1-10(13-8-12(21-2)6-7-15(13)20)18-14-5-3-4-11-9-17-19-16(11)14/h3-10,18,20H,1-2H3,(H,17,19)
InChIKeyNQWAPGXZDKXLEW-UHFFFAOYSA-N
XLogP3.45
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(1H-indazol-7-ylamino)ethyl]benzene-1,3-diol
CID 43730995
N-[1-(2-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43730981
2-[1-(2,6-dibromoanilino)ethyl]-4-methoxyphenol
CID 107597660
N-[1-(3-bromophenyl)ethyl]-1H-indazol-7-amine
CID 43730994
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43788144
2-amino-N-(1H-indazol-7-yl)-4-methoxybenzamide
CID 115412694
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-4-methoxyphenol
CID 104955923
N-butan-2-yl-1H-indazol-7-amine
CID 43730948
2-[1-(2-chloro-6-methylanilino)ethyl]-4-methoxyphenol
CID 66252042
2-[1-(4-bromo-2,5-difluoroanilino)ethyl]-4-methoxyphenol
CID 107609953
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
CID 114082685

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol (CID 43730963) is 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)Nc2cccc3cn[nH]c23)c1.
What is the InChIKey of 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol?
The InChIKey is NQWAPGXZDKXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(13-8-12(21-2)6-7-15(13)20)18-14-5-3-4-11-9-17-19-16(11)14/h3-10,18,20H,1-2H3,(H,17,19).
What are the key properties of 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol?
2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol has a molecular weight of 283.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indazol-7-ylamino)ethyl]-4-methoxyphenol is sourced from PubChem (CID 43730963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).