1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine

C21H18ClN3O — CID 69189312

IUPAC1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine
SMILESCOc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2Cc1ccccc1
InChIInChI=1S/C21H18ClN3O/c1-26-18-10-11-20-19(13-18)21(23-17-9-5-8-16(22)12-17)24-25(20)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyAFBCZKYBGQITCS-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.49
Rot. Bonds5

About 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine

1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine (PubChem CID 69189312) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine
PubChem CID69189312
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine
SMILESCOc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2Cc1ccccc1
InChIInChI=1S/C21H18ClN3O/c1-26-18-10-11-20-19(13-18)21(23-17-9-5-8-16(22)12-17)24-25(20)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,24)
InChIKeyAFBCZKYBGQITCS-UHFFFAOYSA-N
XLogP5.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine?
The IUPAC name of 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine (CID 69189312) is 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine.
What is the SMILES notation for 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine?
The canonical SMILES for 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine is COc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine?
The InChIKey is AFBCZKYBGQITCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c1-26-18-10-11-20-19(13-18)21(23-17-9-5-8-16(22)12-17)24-25(20)14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine?
1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine has a molecular weight of 363.85 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-chlorophenyl)-5-methoxyindazol-3-amine is sourced from PubChem (CID 69189312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).