N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

C14H15ClN4O4 — CID 749111

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C14H15ClN4O4/c1-8-14(19(21)22)9(2)18(17-8)7-13(20)16-11-6-10(15)4-5-12(11)23-3/h4-6H,7H2,1-3H3,(H,16,20)
InChIKeyYPRJIDSLFKJXEI-UHFFFAOYSA-N
MW338.75 g/mol
LogP2.71
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 749111) has the molecular formula C14H15ClN4O4 and a molecular weight of 338.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
PubChem CID749111
Molecular FormulaC14H15ClN4O4
Molecular Weight338.75 g/mol
Exact Mass338.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C14H15ClN4O4/c1-8-14(19(21)22)9(2)18(17-8)7-13(20)16-11-6-10(15)4-5-12(11)23-3/h4-6H,7H2,1-3H3,(H,16,20)
InChIKeyYPRJIDSLFKJXEI-UHFFFAOYSA-N
XLogP2.71
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 52.71
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'}

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Related Compounds

1-(5-Chloro-2-methoxyphenyl)-3-(1,3-dimethylpyrazol-4-yl)urea
CID 2811436
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 749625
ethyl (3,5-dimethyl-4-{[(2-nitrophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate
CID 1507427
N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide
CID 2746417
N-(5-chloro-2-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711713
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1101547
N-(5-chloro-2-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 695408
N-(5-Chloro-2-hydroxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-YL)acetamide
CID 749076
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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (CID 749111) is N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is YPRJIDSLFKJXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4/c1-8-14(19(21)22)9(2)18(17-8)7-13(20)16-11-6-10(15)4-5-12(11)23-3/h4-6H,7H2,1-3H3,(H,16,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 338.75 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 749111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).