N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide

C12H11ClN4O3 — CID 19515897

IUPACN-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H11ClN4O3/c1-8-10(13)3-2-4-11(8)15-12(18)7-16-6-9(5-14-16)17(19)20/h2-6H,7H2,1H3,(H,15,18)
InChIKeyZUWNIPSPAFFNPU-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.39
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 19515897) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID19515897
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H11ClN4O3/c1-8-10(13)3-2-4-11(8)15-12(18)7-16-6-9(5-14-16)17(19)20/h2-6H,7H2,1H3,(H,15,18)
InChIKeyZUWNIPSPAFFNPU-UHFFFAOYSA-N
XLogP2.39
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.39
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-(3-chloro-2-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

2-(4-nitropyrazol-1-yl)-N-(2-propylphenyl)acetamide
CID 31870599
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
N-(2-chloro-5-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526489
N-[(2-chlorophenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 3572062
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 841219
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539727
6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642913
2-[4-(aminomethyl)triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 62053803
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
2-[4-[(3-chloro-2-methylphenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61182770

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide (CID 19515897) is N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is ZUWNIPSPAFFNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-8-10(13)3-2-4-11(8)15-12(18)7-16-6-9(5-14-16)17(19)20/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 294.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19515897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).