N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide

C14H20N4O3 — CID 19521556

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC2CCC1C2
InChIInChI=1S/C14H20N4O3/c1-9(12-7-10-2-3-11(12)6-10)15-14(19)8-17-5-4-13(16-17)18(20)21/h4-5,9-12H,2-3,6-8H2,1H3,(H,15,19)
InChIKeyXUYQBNQVKHVWSI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.73
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521556) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521556
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC2CCC1C2
InChIInChI=1S/C14H20N4O3/c1-9(12-7-10-2-3-11(12)6-10)15-14(19)8-17-5-4-13(16-17)18(20)21/h4-5,9-12H,2-3,6-8H2,1H3,(H,15,19)
InChIKeyXUYQBNQVKHVWSI-UHFFFAOYSA-N
XLogP1.73
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 19521556) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide is CC(NC(=O)Cn1ccc([N+](=O)[O-])n1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is XUYQBNQVKHVWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(12-7-10-2-3-11(12)6-10)15-14(19)8-17-5-4-13(16-17)18(20)21/h4-5,9-12H,2-3,6-8H2,1H3,(H,15,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).