N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H19N3O2 — CID 5309862

IUPACN-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1
InChIInChI=1S/C17H19N3O2/c1-12(21)13-6-4-7-15(9-13)18-17(22)11-20-10-14-5-2-3-8-16(14)19-20/h4,6-7,9-10H,2-3,5,8,11H2,1H3,(H,18,22)
InChIKeyIDUQIEWJCACMAI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.60
Rot. Bonds4

About N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309862) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309862
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1
InChIInChI=1S/C17H19N3O2/c1-12(21)13-6-4-7-15(9-13)18-17(22)11-20-10-14-5-2-3-8-16(14)19-20/h4,6-7,9-10H,2-3,5,8,11H2,1H3,(H,18,22)
InChIKeyIDUQIEWJCACMAI-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309862) is N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is IDUQIEWJCACMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(21)13-6-4-7-15(9-13)18-17(22)11-20-10-14-5-2-3-8-16(14)19-20/h4,6-7,9-10H,2-3,5,8,11H2,1H3,(H,18,22).
What are the key properties of N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).