2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide

C14H16N4O3 — CID 31870599

IUPAC2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide
SMILESCCCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O3/c1-2-5-11-6-3-4-7-13(11)16-14(19)10-17-9-12(8-15-17)18(20)21/h3-4,6-9H,2,5,10H2,1H3,(H,16,19)
InChIKeyVGGJBZATFJKONE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.38
Rot. Bonds6

About 2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide

2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide (PubChem CID 31870599) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide
PubChem CID31870599
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide
SMILESCCCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O3/c1-2-5-11-6-3-4-7-13(11)16-14(19)10-17-9-12(8-15-17)18(20)21/h3-4,6-9H,2,5,10H2,1H3,(H,16,19)
InChIKeyVGGJBZATFJKONE-UHFFFAOYSA-N
XLogP2.38
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.38
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

2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19515965
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
methyl 1-ethyl-4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazole-3-carboxylate
CID 19516093
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516055
6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642913
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide?
The IUPAC name of 2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide (CID 31870599) is 2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide.
What is the SMILES notation for 2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide?
The canonical SMILES for 2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide is CCCc1ccccc1NC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide?
The InChIKey is VGGJBZATFJKONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-5-11-6-3-4-7-13(11)16-14(19)10-17-9-12(8-15-17)18(20)21/h3-4,6-9H,2,5,10H2,1H3,(H,16,19).
What are the key properties of 2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide?
2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 2.38, 6 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-(2-propylphenyl)acetamide is sourced from PubChem (CID 31870599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).