N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C20H21N3O — CID 43050486

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H21N3O/c1-12-17(13(2)23(3)22-12)11-19(24)21-18-10-9-15-8-7-14-5-4-6-16(18)20(14)15/h4-6,9-10H,7-8,11H2,1-3H3,(H,21,24)
InChIKeyQXYMUWJILVKIDW-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.47
Rot. Bonds3

About N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 43050486) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID43050486
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H21N3O/c1-12-17(13(2)23(3)22-12)11-19(24)21-18-10-9-15-8-7-14-5-4-6-16(18)20(14)15/h4-6,9-10H,7-8,11H2,1-3H3,(H,21,24)
InChIKeyQXYMUWJILVKIDW-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16952532
N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24665858
N-(2-cyanophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695411
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 34573149
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739935
N-(1H-indazol-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24669396
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43171756
N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 75506187
2-[3-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenoxy]acetic acid
CID 119231451
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 112804434
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18206563

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 43050486) is N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is QXYMUWJILVKIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-12-17(13(2)23(3)22-12)11-19(24)21-18-10-9-15-8-7-14-5-4-6-16(18)20(14)15/h4-6,9-10H,7-8,11H2,1-3H3,(H,21,24).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 319.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 43050486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).