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

C12H12N4O3 — CID 19579263

IUPACN-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H12N4O3/c1-9-2-4-10(5-3-9)14-12(17)8-15-7-11(6-13-15)16(18)19/h2-7H,8H2,1H3,(H,14,17)
InChIKeyCXFRSXAMDRVQCX-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.74
Rot. Bonds4

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

N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 19579263) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID19579263
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H12N4O3/c1-9-2-4-10(5-3-9)14-12(17)8-15-7-11(6-13-15)16(18)19/h2-7H,8H2,1H3,(H,14,17)
InChIKeyCXFRSXAMDRVQCX-UHFFFAOYSA-N
XLogP1.74
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.74
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'}

Analyze N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)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

1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19516097
2-[4-(4-methylphenyl)triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 138373950
N-(4-methylphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 4775215
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 5047489
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
2-methyl-2-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyrazol-1-yl]propanoic acid
CID 120697013
4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63649872
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 60573431
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516042
N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 17052763

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide (CID 19579263) is N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is CXFRSXAMDRVQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-9-2-4-10(5-3-9)14-12(17)8-15-7-11(6-13-15)16(18)19/h2-7H,8H2,1H3,(H,14,17).
What are the key properties of N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 260.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19579263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).