3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine

C17H19ClN4O — CID 91327669

IUPAC3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine
SMILESCOCCN(C)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C17H19ClN4O/c1-22(8-9-23-2)14-6-7-16-15(11-14)17(21-20-16)19-13-5-3-4-12(18)10-13/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyMJGIUDNGGPBDDS-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.04
Rot. Bonds6

About 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine

3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine (PubChem CID 91327669) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine
PubChem CID91327669
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine
SMILESCOCCN(C)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C17H19ClN4O/c1-22(8-9-23-2)14-6-7-16-15(11-14)17(21-20-16)19-13-5-3-4-12(18)10-13/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyMJGIUDNGGPBDDS-UHFFFAOYSA-N
XLogP4.04
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-methoxy-1H-indazol-3-amine
CID 24991698
3-N-(3-chlorophenyl)-5-N-ethyl-5-N,1-dimethylindazole-3,5-diamine
CID 69189667
6-(4-chloro-2-methylphenyl)-N-(2-methoxyethyl)-N-methylpyridin-3-amine
CID 172606837
4-N-(3-chlorophenyl)-3-N-(1H-imidazol-2-yl)-3-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
CID 57131361
4-N-(3-chlorophenyl)-3-N-methyl-3-N-pyridin-3-yl-1H-pyrazolo[5,4-d]pyrimidine-3,4-diamine
CID 21190644
3-N-phenyl-1H-indazole-3,5-diamine
CID 89172388
ethyl 3-(3-chloroanilino)-5-methyl-1H-pyrazole-4-carboxylate
CID 14500687
N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106558420
5-(3-chloroanilino)-3-(methylamino)-1H-pyrazole-4-carbonitrile
CID 147162086
N-(methoxymethyl)-1H-indazol-3-amine
CID 142778933
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
N-benzyl-5-chloro-1H-indazol-3-amine
CID 142275552

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine?
The IUPAC name of 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine (CID 91327669) is 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine.
What is the SMILES notation for 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine?
The canonical SMILES for 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine is COCCN(C)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine?
The InChIKey is MJGIUDNGGPBDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-22(8-9-23-2)14-6-7-16-15(11-14)17(21-20-16)19-13-5-3-4-12(18)10-13/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine?
3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine has a molecular weight of 330.82 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chlorophenyl)-5-N-(2-methoxyethyl)-5-N-methyl-1H-indazole-3,5-diamine is sourced from PubChem (CID 91327669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).