N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide

C17H19N3O2 — CID 154070026

IUPACN-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
SMILESCc1nn(NC(=O)c2ccccc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H19N3O2/c1-11-15-13(9-17(2,3)10-14(15)21)20(18-11)19-16(22)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,22)
InChIKeyGOWMTLXLOOCDHK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.73
Rot. Bonds2

About N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide

N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide (PubChem CID 154070026) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
PubChem CID154070026
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
SMILESCc1nn(NC(=O)c2ccccc2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C17H19N3O2/c1-11-15-13(9-17(2,3)10-14(15)21)20(18-11)19-16(22)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,22)
InChIKeyGOWMTLXLOOCDHK-UHFFFAOYSA-N
XLogP2.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
The IUPAC name of N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide (CID 154070026) is N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide.
What is the SMILES notation for N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
The canonical SMILES for N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide is Cc1nn(NC(=O)c2ccccc2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
The InChIKey is GOWMTLXLOOCDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-15-13(9-17(2,3)10-14(15)21)20(18-11)19-16(22)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide?
N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide has a molecular weight of 297.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide is sourced from PubChem (CID 154070026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).