N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide

C15H20N4O3 — CID 19521562

IUPACN-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H20N4O3/c20-14(8-18-2-1-13(17-18)19(21)22)16-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,15H,3-8H2,(H,16,20)
InChIKeyYAQROISDBYGUJY-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.73
Rot. Bonds4

About N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide

N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521562) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521562
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H20N4O3/c20-14(8-18-2-1-13(17-18)19(21)22)16-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,15H,3-8H2,(H,16,20)
InChIKeyYAQROISDBYGUJY-UHFFFAOYSA-N
XLogP1.73
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-adamantyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565882
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
N-(2-hydroxycyclohexyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 62359969
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 114630924
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 119609406
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 103280278
N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 94609543
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
N-[1-(hydroxymethyl)cyclobutyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 115878161
N-(2-adamantyl)-3-(4-bromo-3-nitropyrazol-1-yl)propanamide
CID 19567775
N-[3-(hydroxymethyl)pentan-3-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55082351

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide (CID 19521562) is N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is YAQROISDBYGUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-14(8-18-2-1-13(17-18)19(21)22)16-15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,9-12,15H,3-8H2,(H,16,20).
What are the key properties of N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).