N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide

C14H14Cl2N4O5 — CID 1101539

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)c(OC)cc1Cl
InChIInChI=1S/C14H14Cl2N4O5/c1-7-13(16)14(20(22)23)18-19(7)6-12(21)17-9-5-10(24-2)8(15)4-11(9)25-3/h4-5H,6H2,1-3H3,(H,17,21)
InChIKeyUORKZYGOERNREP-UHFFFAOYSA-N
MW389.20 g/mol
LogP3.06
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 1101539) has the molecular formula C14H14Cl2N4O5 and a molecular weight of 389.20 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID1101539
Molecular FormulaC14H14Cl2N4O5
Molecular Weight389.20 g/mol
Exact Mass388.03
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)c(OC)cc1Cl
InChIInChI=1S/C14H14Cl2N4O5/c1-7-13(16)14(20(22)23)18-19(7)6-12(21)17-9-5-10(24-2)8(15)4-11(9)25-3/h4-5H,6H2,1-3H3,(H,17,21)
InChIKeyUORKZYGOERNREP-UHFFFAOYSA-N
XLogP3.06
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1049537
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 1101546
2-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-(2,4-dichlorophenoxy)-5-nitrophenyl)acetamide
CID 3099439
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 40142673
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 749086
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 1101558
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-chloro-2-methoxyphenyl)acetamide
CID 1417720
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)acetamide
CID 1832261
N-(3-(3-Chlorophenoxy)-5-nitrophenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1842587
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 3106235
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 4237343
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanamide
CID 7311370

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (CID 1101539) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is UORKZYGOERNREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O5/c1-7-13(16)14(20(22)23)18-19(7)6-12(21)17-9-5-10(24-2)8(15)4-11(9)25-3/h4-5H,6H2,1-3H3,(H,17,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 389.20 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1101539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).