2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide

C10H9N5O3 — CID 4916147

IUPAC2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccnc1
InChIInChI=1S/C10H9N5O3/c16-10(13-8-2-1-3-11-4-8)7-14-6-9(5-12-14)15(17)18/h1-6H,7H2,(H,13,16)
InChIKeyPPVQVJNOZWVPAW-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.82
Rot. Bonds4

About 2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide

2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide (PubChem CID 4916147) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide
PubChem CID4916147
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccnc1
InChIInChI=1S/C10H9N5O3/c16-10(13-8-2-1-3-11-4-8)7-14-6-9(5-12-14)15(17)18/h1-6H,7H2,(H,13,16)
InChIKeyPPVQVJNOZWVPAW-UHFFFAOYSA-N
XLogP0.82
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.82
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-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide (CID 4916147) is 2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide is O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccnc1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide?
The InChIKey is PPVQVJNOZWVPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c16-10(13-8-2-1-3-11-4-8)7-14-6-9(5-12-14)15(17)18/h1-6H,7H2,(H,13,16).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide?
2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide has a molecular weight of 247.21 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 4916147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).