N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide

C13H14N4O4 — CID 19516847

IUPACN-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Cn1ccc(C)n1
InChIInChI=1S/C13H14N4O4/c1-9-5-6-16(15-9)8-13(18)14-11-4-3-10(17(19)20)7-12(11)21-2/h3-7H,8H2,1-2H3,(H,14,18)
InChIKeyYYFVQOMYYMAKJG-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.75
Rot. Bonds5

About N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide

N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 19516847) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID19516847
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)Cn1ccc(C)n1
InChIInChI=1S/C13H14N4O4/c1-9-5-6-16(15-9)8-13(18)14-11-4-3-10(17(19)20)7-12(11)21-2/h3-7H,8H2,1-2H3,(H,14,18)
InChIKeyYYFVQOMYYMAKJG-UHFFFAOYSA-N
XLogP1.75
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-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-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 19580192
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517005
N-(2-methoxy-4-nitrophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713097
3-(4-chloro-3-methylpyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 19544002
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7966759
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066743
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8900035
N-(2-chloro-5-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555815
N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063856
1-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19276183

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide (CID 19516847) is N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1ccc(C)n1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is YYFVQOMYYMAKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-9-5-6-16(15-9)8-13(18)14-11-4-3-10(17(19)20)7-12(11)21-2/h3-7H,8H2,1-2H3,(H,14,18).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide?
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19516847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).