2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C10H14N4O4 — CID 2980596

IUPAC2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCCO1
InChIInChI=1S/C10H14N4O4/c15-10(11-6-8-2-1-5-18-8)7-13-4-3-9(12-13)14(16)17/h3-4,8H,1-2,5-7H2,(H,11,15)
InChIKeyKQGBSOWZLHWJRB-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.09
Rot. Bonds5

About 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2980596) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2980596
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCCO1
InChIInChI=1S/C10H14N4O4/c15-10(11-6-8-2-1-5-18-8)7-13-4-3-9(12-13)14(16)17/h3-4,8H,1-2,5-7H2,(H,11,15)
InChIKeyKQGBSOWZLHWJRB-UHFFFAOYSA-N
XLogP0.09
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
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 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 2980596) is 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CCCO1.
What is the InChIKey of 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KQGBSOWZLHWJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-10(11-6-8-2-1-5-18-8)7-13-4-3-9(12-13)14(16)17/h3-4,8H,1-2,5-7H2,(H,11,15).
What are the key properties of 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitropyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2980596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).