2-(4-nitropyrazol-1-yl)-N-phenylacetamide

C11H10N4O3 — CID 841679

IUPAC2-(4-nitropyrazol-1-yl)-N-phenylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1
InChIInChI=1S/C11H10N4O3/c16-11(13-9-4-2-1-3-5-9)8-14-7-10(6-12-14)15(17)18/h1-7H,8H2,(H,13,16)
InChIKeyOXTWOIQMYKKTKJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.43
Rot. Bonds4

About 2-(4-nitropyrazol-1-yl)-N-phenylacetamide

2-(4-nitropyrazol-1-yl)-N-phenylacetamide (PubChem CID 841679) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-phenylacetamide
PubChem CID841679
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-(4-nitropyrazol-1-yl)-N-phenylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1
InChIInChI=1S/C11H10N4O3/c16-11(13-9-4-2-1-3-5-9)8-14-7-10(6-12-14)15(17)18/h1-7H,8H2,(H,13,16)
InChIKeyOXTWOIQMYKKTKJ-UHFFFAOYSA-N
XLogP1.43
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.43
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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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 841659
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
1-methyl-4-nitro-N-phenyl-1H-pyrazole-5-carboxamide
CID 839983
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 1259244
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 4916148
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 997550
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-[1-(4-tert-butylphenyl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 4536388
Quinoline, 1,2,3,4-tetrahydro-1-[2-(4-nitro-1H-pyrazol-1-yl)acetyl]-
CID 4916117
N-benzyl-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 4916308
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-3-pyridinylacetamide
CID 1257381
N'-hydroxy-N-[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]octanediamide
CID 53362594

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-phenylacetamide (CID 841679) is 2-(4-nitropyrazol-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-phenylacetamide is O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-phenylacetamide?
The InChIKey is OXTWOIQMYKKTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-11(13-9-4-2-1-3-5-9)8-14-7-10(6-12-14)15(17)18/h1-7H,8H2,(H,13,16).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-phenylacetamide?
2-(4-nitropyrazol-1-yl)-N-phenylacetamide has a molecular weight of 246.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropyrazol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 841679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).