2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide

C16H12N6O6 — CID 19521727

IUPAC2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N6O6/c23-16(10-20-5-3-15(19-20)22(26)27)18-11-6-12(21(24)25)8-14(7-11)28-13-2-1-4-17-9-13/h1-9H,10H2,(H,18,23)
InChIKeyTZIGCBSXGQEAGI-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.53
Rot. Bonds7

About 2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide

2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide (PubChem CID 19521727) has the molecular formula C16H12N6O6 and a molecular weight of 384.31 g/mol. Its IUPAC name is 2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
PubChem CID19521727
Molecular FormulaC16H12N6O6
Molecular Weight384.31 g/mol
Exact Mass384.08
IUPAC Name2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide
SMILESO=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N6O6/c23-16(10-20-5-3-15(19-20)22(26)27)18-11-6-12(21(24)25)8-14(7-11)28-13-2-1-4-17-9-13/h1-9H,10H2,(H,18,23)
InChIKeyTZIGCBSXGQEAGI-UHFFFAOYSA-N
XLogP2.53
TPSA155.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The IUPAC name of 2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide (CID 19521727) is 2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide is O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
The InChIKey is TZIGCBSXGQEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O6/c23-16(10-20-5-3-15(19-20)22(26)27)18-11-6-12(21(24)25)8-14(7-11)28-13-2-1-4-17-9-13/h1-9H,10H2,(H,18,23).
What are the key properties of 2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide?
2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide has a molecular weight of 384.31 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide is sourced from PubChem (CID 19521727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).