5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide

C17H21N3O2 — CID 166306565

IUPAC5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide
SMILESCCc1ccc(O)c(C(=O)NC2CCc3cn(C)nc3C2)c1
InChIInChI=1S/C17H21N3O2/c1-3-11-4-7-16(21)14(8-11)17(22)18-13-6-5-12-10-20(2)19-15(12)9-13/h4,7-8,10,13,21H,3,5-6,9H2,1-2H3,(H,18,22)
InChIKeyDHJSGHFKAZXKMH-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.98
Rot. Bonds3

About 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide

5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide (PubChem CID 166306565) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide.

Molecular Properties

Compound Name5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide
PubChem CID166306565
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide
SMILESCCc1ccc(O)c(C(=O)NC2CCc3cn(C)nc3C2)c1
InChIInChI=1S/C17H21N3O2/c1-3-11-4-7-16(21)14(8-11)17(22)18-13-6-5-12-10-20(2)19-15(12)9-13/h4,7-8,10,13,21H,3,5-6,9H2,1-2H3,(H,18,22)
InChIKeyDHJSGHFKAZXKMH-UHFFFAOYSA-N
XLogP1.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-methyl-N-(1-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)pyrazole-4-carboxamide
CID 155954078
5-amino-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 10493163
5-ethyl-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458419
2-(dimethylamino)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)benzamide
CID 154778939
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 131908727
4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide
CID 136567841
6-ethyl-1-methyl-3,4-dihydro-2H-quinoline-2-carboxylic acid
CID 84623301
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
N-(2,6-dioxopiperidin-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894268
5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110000952
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
N-[4-(ethylamino)cyclohexyl]-2-hydroxy-5-methylbenzamide
CID 43653300

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide?
The IUPAC name of 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide (CID 166306565) is 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide.
What is the SMILES notation for 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide?
The canonical SMILES for 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide is CCc1ccc(O)c(C(=O)NC2CCc3cn(C)nc3C2)c1.
What is the InChIKey of 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide?
The InChIKey is DHJSGHFKAZXKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-11-4-7-16(21)14(8-11)17(22)18-13-6-5-12-10-20(2)19-15(12)9-13/h4,7-8,10,13,21H,3,5-6,9H2,1-2H3,(H,18,22).
What are the key properties of 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide?
5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hydroxy-N-(2-methyl-4,5,6,7-tetrahydroindazol-6-yl)benzamide is sourced from PubChem (CID 166306565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).