N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide

C19H33N3O2 — CID 91313387

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
SMILESCCCCCCCCCCCC(=O)CC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C19H33N3O2/c1-4-5-6-7-8-9-10-11-12-13-17(23)15-19(24)20-18-14-16(2)21-22(18)3/h14H,4-13,15H2,1-3H3,(H,20,24)
InChIKeyANNLXVKFFOWART-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.55
Rot. Bonds13

About N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide

N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide (PubChem CID 91313387) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
PubChem CID91313387
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide
SMILESCCCCCCCCCCCC(=O)CC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C19H33N3O2/c1-4-5-6-7-8-9-10-11-12-13-17(23)15-19(24)20-18-14-16(2)21-22(18)3/h14H,4-13,15H2,1-3H3,(H,20,24)
InChIKeyANNLXVKFFOWART-UHFFFAOYSA-N
XLogP4.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
1-(1,3-dimethylpyrazol-4-yl)decane-1,3-dione
CID 65197297
4-amino-N-(2,5-dimethylpyrazol-3-yl)pentanamide;hydrochloride
CID 120558953
2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 24570262
N-(2,5-dimethylpyrazol-3-yl)-3-piperidin-4-yloxypropanamide
CID 55252255
N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide
CID 71922693
2-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 2811788
N-(2-methylphenyl)-3-oxododecanamide
CID 25129600
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
N-(2,5-dimethylpyrazol-3-yl)-2-ethoxypropanamide
CID 60555284
N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylanilino)acetamide
CID 86913432

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide (CID 91313387) is N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide is CCCCCCCCCCCC(=O)CC(=O)Nc1cc(C)nn1C.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide?
The InChIKey is ANNLXVKFFOWART-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-5-6-7-8-9-10-11-12-13-17(23)15-19(24)20-18-14-16(2)21-22(18)3/h14H,4-13,15H2,1-3H3,(H,20,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide?
N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide has a molecular weight of 335.49 g/mol, XLogP of 4.55, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-oxotetradecanamide is sourced from PubChem (CID 91313387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).