N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide

C18H26N4O3 — CID 19521573

IUPACN-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccc([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N4O3/c1-2-15(18-8-12-5-13(9-18)7-14(6-12)10-18)19-17(23)11-21-4-3-16(20-21)22(24)25/h3-4,12-15H,2,5-11H2,1H3,(H,19,23)
InChIKeyHSIDONQKZWFVJR-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.90
Rot. Bonds6

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

N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521573) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521573
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCCC(NC(=O)Cn1ccc([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26N4O3/c1-2-15(18-8-12-5-13(9-18)7-14(6-12)10-18)19-17(23)11-21-4-3-16(20-21)22(24)25/h3-4,12-15H,2,5-11H2,1H3,(H,19,23)
InChIKeyHSIDONQKZWFVJR-UHFFFAOYSA-N
XLogP2.90
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.90
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'}

Analyze N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 19521573) is N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide is CCC(NC(=O)Cn1ccc([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is HSIDONQKZWFVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-2-15(18-8-12-5-13(9-18)7-14(6-12)10-18)19-17(23)11-21-4-3-16(20-21)22(24)25/h3-4,12-15H,2,5-11H2,1H3,(H,19,23).
What are the key properties of N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).