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

C22H21N3O — CID 166629921

IUPACN-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine
SMILESCCOc1cccc(-c2ccc3c(NCc4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C22H21N3O/c1-2-26-19-10-6-9-17(13-19)18-11-12-20-21(14-18)24-25-22(20)23-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H2,23,24,25)
InChIKeyYGLFFMPABLNGMO-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.24
Rot. Bonds6

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

N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine (PubChem CID 166629921) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine
PubChem CID166629921
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine
SMILESCCOc1cccc(-c2ccc3c(NCc4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C22H21N3O/c1-2-26-19-10-6-9-17(13-19)18-11-12-20-21(14-18)24-25-22(20)23-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H2,23,24,25)
InChIKeyYGLFFMPABLNGMO-UHFFFAOYSA-N
XLogP5.24
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine?
The IUPAC name of N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine (CID 166629921) is N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine.
What is the SMILES notation for N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine?
The canonical SMILES for N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine is CCOc1cccc(-c2ccc3c(NCc4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine?
The InChIKey is YGLFFMPABLNGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-26-19-10-6-9-17(13-19)18-11-12-20-21(14-18)24-25-22(20)23-15-16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H2,23,24,25).
What are the key properties of N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine?
N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine has a molecular weight of 343.43 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-ethoxyphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 166629921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).