2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide

C22H24N4O — CID 18416016

IUPAC2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2
InChIInChI=1S/C22H24N4O/c1-3-26(4-2)14-20(27)23-17-10-11-18-16(12-17)13-19-21(24-25-22(18)19)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyHOFMXOHGRQBDRZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.93
Rot. Bonds6

About 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide

2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide (PubChem CID 18416016) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide
PubChem CID18416016
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2
InChIInChI=1S/C22H24N4O/c1-3-26(4-2)14-20(27)23-17-10-11-18-16(12-17)13-19-21(24-25-22(18)19)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyHOFMXOHGRQBDRZ-UHFFFAOYSA-N
XLogP3.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide?
The IUPAC name of 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide (CID 18416016) is 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide.
What is the SMILES notation for 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide?
The canonical SMILES for 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide is CCN(CC)CC(=O)Nc1ccc2c(c1)Cc1c(-c3ccccc3)n[nH]c1-2.
What is the InChIKey of 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide?
The InChIKey is HOFMXOHGRQBDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-26(4-2)14-20(27)23-17-10-11-18-16(12-17)13-19-21(24-25-22(18)19)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide?
2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(3-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)acetamide is sourced from PubChem (CID 18416016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).