N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide

C10H12N6O3 — CID 115668368

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCCc1ncc[nH]1
InChIInChI=1S/C10H12N6O3/c17-10(13-3-1-8-11-4-5-12-8)7-15-6-2-9(14-15)16(18)19/h2,4-6H,1,3,7H2,(H,11,12)(H,13,17)
InChIKeySCDXRCFMLBDTIJ-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.13
Rot. Bonds6

About N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 115668368) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID115668368
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCCc1ncc[nH]1
InChIInChI=1S/C10H12N6O3/c17-10(13-3-1-8-11-4-5-12-8)7-15-6-2-9(14-15)16(18)19/h2,4-6H,1,3,7H2,(H,11,12)(H,13,17)
InChIKeySCDXRCFMLBDTIJ-UHFFFAOYSA-N
XLogP-0.13
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 115668368) is N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is SCDXRCFMLBDTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c17-10(13-3-1-8-11-4-5-12-8)7-15-6-2-9(14-15)16(18)19/h2,4-6H,1,3,7H2,(H,11,12)(H,13,17).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 264.24 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 115668368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).