6-(3-ethoxyphenyl)-1H-indazol-3-amine

C15H15N3O — CID 11622972

IUPAC6-(3-ethoxyphenyl)-1H-indazol-3-amine
SMILESCCOc1cccc(-c2ccc3c(N)n[nH]c3c2)c1
InChIInChI=1S/C15H15N3O/c1-2-19-12-5-3-4-10(8-12)11-6-7-13-14(9-11)17-18-15(13)16/h3-9H,2H2,1H3,(H3,16,17,18)
InChIKeyPEKZZJYRHRWCCU-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.21
Rot. Bonds3

About 6-(3-ethoxyphenyl)-1H-indazol-3-amine

6-(3-ethoxyphenyl)-1H-indazol-3-amine (PubChem CID 11622972) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-1H-indazol-3-amine
PubChem CID11622972
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name6-(3-ethoxyphenyl)-1H-indazol-3-amine
SMILESCCOc1cccc(-c2ccc3c(N)n[nH]c3c2)c1
InChIInChI=1S/C15H15N3O/c1-2-19-12-5-3-4-10(8-12)11-6-7-13-14(9-11)17-18-15(13)16/h3-9H,2H2,1H3,(H3,16,17,18)
InChIKeyPEKZZJYRHRWCCU-UHFFFAOYSA-N
XLogP3.21
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-1H-indazol-3-amine?
The IUPAC name of 6-(3-ethoxyphenyl)-1H-indazol-3-amine (CID 11622972) is 6-(3-ethoxyphenyl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(3-ethoxyphenyl)-1H-indazol-3-amine?
The canonical SMILES for 6-(3-ethoxyphenyl)-1H-indazol-3-amine is CCOc1cccc(-c2ccc3c(N)n[nH]c3c2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-1H-indazol-3-amine?
The InChIKey is PEKZZJYRHRWCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-19-12-5-3-4-10(8-12)11-6-7-13-14(9-11)17-18-15(13)16/h3-9H,2H2,1H3,(H3,16,17,18).
What are the key properties of 6-(3-ethoxyphenyl)-1H-indazol-3-amine?
6-(3-ethoxyphenyl)-1H-indazol-3-amine has a molecular weight of 253.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 11622972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).