N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide

C15H20N4O3 — CID 19515904

IUPACN-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N4O3/c20-14(9-18-8-13(7-16-18)19(21)22)17-15-4-10-1-11(5-15)3-12(2-10)6-15/h7-8,10-12H,1-6,9H2,(H,17,20)
InChIKeyOJRBUXQXPJZVRO-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.88
Rot. Bonds4

About N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide

N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 19515904) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID19515904
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20N4O3/c20-14(9-18-8-13(7-16-18)19(21)22)17-15-4-10-1-11(5-15)3-12(2-10)6-15/h7-8,10-12H,1-6,9H2,(H,17,20)
InChIKeyOJRBUXQXPJZVRO-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide (CID 19515904) is N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is OJRBUXQXPJZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-14(9-18-8-13(7-16-18)19(21)22)17-15-4-10-1-11(5-15)3-12(2-10)6-15/h7-8,10-12H,1-6,9H2,(H,17,20).
What are the key properties of N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19515904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).