4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide

C13H20ClN3O2 — CID 145080487

IUPAC4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide
SMILESCC.Cc1ccc(Cl)c2cnn(C)c12.NC(=O)CO
InChIInChI=1S/C9H9ClN2.C2H5NO2.C2H6/c1-6-3-4-8(10)7-5-11-12(2)9(6)7;3-2(5)1-4;1-2/h3-5H,1-2H3;4H,1H2,(H2,3,5);1-2H3
InChIKeyOQINCJYCTNGTQK-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.03
Rot. Bonds1

About 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide

4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide (PubChem CID 145080487) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide.

Molecular Properties

Compound Name4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide
PubChem CID145080487
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide
SMILESCC.Cc1ccc(Cl)c2cnn(C)c12.NC(=O)CO
InChIInChI=1S/C9H9ClN2.C2H5NO2.C2H6/c1-6-3-4-8(10)7-5-11-12(2)9(6)7;3-2(5)1-4;1-2/h3-5H,1-2H3;4H,1H2,(H2,3,5);1-2H3
InChIKeyOQINCJYCTNGTQK-UHFFFAOYSA-N
XLogP2.03
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1,7-dimethylindazole;ethane;2,2,2-trifluoroacetamide
CID 144693962
4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide
CID 145080742
(1,7-dimethylindazol-4-yl)methanol
CID 155733013
4-chloro-7-fluoro-1-methylindazole
CID 171662404
4-chloro-1-methyl-7-nitroindazole
CID 134096067
1,4-dimethylindazol-7-ol
CID 105431858
4-bromo-5-chloro-1,7-dimethylindazole
CID 168927566
methyl 1,4-dimethylindazole-7-carboxylate
CID 58524149
(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
CID 130936273
7-bromo-1,4-dimethylindazole
CID 131422474
(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 131209567
ethyl 4-[5,6,7-tris(4-ethoxycarbonylphenyl)-1-methylindazol-4-yl]benzoate
CID 132967580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide?
The IUPAC name of 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide (CID 145080487) is 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide.
What is the SMILES notation for 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide?
The canonical SMILES for 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide is CC.Cc1ccc(Cl)c2cnn(C)c12.NC(=O)CO.
What is the InChIKey of 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide?
The InChIKey is OQINCJYCTNGTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2.C2H5NO2.C2H6/c1-6-3-4-8(10)7-5-11-12(2)9(6)7;3-2(5)1-4;1-2/h3-5H,1-2H3;4H,1H2,(H2,3,5);1-2H3.
What are the key properties of 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide?
4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide has a molecular weight of 285.78 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide is sourced from PubChem (CID 145080487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).