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

C18H16N4O3 — CID 2982830

IUPACN-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N4O3/c23-18(14-20-13-17(11-19-20)22(24)25)21(16-9-5-2-6-10-16)12-15-7-3-1-4-8-15/h1-11,13H,12,14H2
InChIKeyGDAQTMOXPFARBU-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.02
Rot. Bonds6

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

N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide (PubChem CID 2982830) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
PubChem CID2982830
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N4O3/c23-18(14-20-13-17(11-19-20)22(24)25)21(16-9-5-2-6-10-16)12-15-7-3-1-4-8-15/h1-11,13H,12,14H2
InChIKeyGDAQTMOXPFARBU-UHFFFAOYSA-N
XLogP3.02
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
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-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-(2-aminoethyl)-2-(4-nitropyrazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120884306
2-[benzyl-[3-(4-nitropyrazol-1-yl)propanoyl]amino]acetic acid
CID 119197065
2-[carboxymethyl-[2-(4-nitropyrazol-1-yl)acetyl]amino]acetic acid
CID 63645061
N-benzyl-3-(4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 60573937
N-benzyl-2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)-N-phenylacetamide
CID 71856381
N-[(1-methylindol-3-yl)methyl]-2-(4-nitropyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 171349267
N-benzyl-2-(4-nitrophenoxy)-N-phenylacetamide
CID 41161693
N-benzyl-N-(4-nitrophenyl)-4-oxohexanamide
CID 19863365
2-[[2-(4-nitropyrazol-1-yl)acetyl]-propan-2-ylamino]acetic acid
CID 60831883
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-benzyl-2-[benzyl(methyl)amino]-N-(4-nitrophenyl)acetamide
CID 23507484

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide (CID 2982830) is N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide is O=C(Cn1cc([N+](=O)[O-])cn1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide?
The InChIKey is GDAQTMOXPFARBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-18(14-20-13-17(11-19-20)22(24)25)21(16-9-5-2-6-10-16)12-15-7-3-1-4-8-15/h1-11,13H,12,14H2.
What are the key properties of N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide?
N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide has a molecular weight of 336.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-nitropyrazol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 2982830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).