N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide

C12H12N4O3 — CID 112691354

IUPACN-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide
SMILESCc1cn[nH]c1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H12N4O3/c1-8-7-13-15-12(8)14-11(17)6-9-2-4-10(5-3-9)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
InChIKeyMURYSLBREJBIOI-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.81
Rot. Bonds4

About N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide

N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide (PubChem CID 112691354) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide
PubChem CID112691354
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide
SMILESCc1cn[nH]c1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H12N4O3/c1-8-7-13-15-12(8)14-11(17)6-9-2-4-10(5-3-9)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
InChIKeyMURYSLBREJBIOI-UHFFFAOYSA-N
XLogP1.81
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-butylphenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115630203
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113253809
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104621851
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 43974466
potassium 2-(4-nitrophenyl)acetate
CID 15261201

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide (CID 112691354) is N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide is Cc1cn[nH]c1NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide?
The InChIKey is MURYSLBREJBIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-8-7-13-15-12(8)14-11(17)6-9-2-4-10(5-3-9)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide?
N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide has a molecular weight of 260.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 112691354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).