3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine

C17H19ClN4 — CID 69189667

IUPAC3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine
SMILESCCN(C)c1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2C
InChIInChI=1S/C17H19ClN4/c1-4-21(2)14-8-9-16-15(11-14)17(20-22(16)3)19-13-7-5-6-12(18)10-13/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyQDXGAZAHKCJCJG-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.43
Rot. Bonds4

About 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine

3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine (PubChem CID 69189667) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine
PubChem CID69189667
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine
SMILESCCN(C)c1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2C
InChIInChI=1S/C17H19ClN4/c1-4-21(2)14-8-9-16-15(11-14)17(20-22(16)3)19-13-7-5-6-12(18)10-13/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyQDXGAZAHKCJCJG-UHFFFAOYSA-N
XLogP4.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine?
The IUPAC name of 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine (CID 69189667) is 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine.
What is the SMILES notation for 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine?
The canonical SMILES for 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine is CCN(C)c1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2C.
What is the InChIKey of 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine?
The InChIKey is QDXGAZAHKCJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-4-21(2)14-8-9-16-15(11-14)17(20-22(16)3)19-13-7-5-6-12(18)10-13/h5-11H,4H2,1-3H3,(H,19,20).
What are the key properties of 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine?
3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine has a molecular weight of 314.82 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine is sourced from PubChem (CID 69189667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).