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

C14H15ClN4O5 — CID 1049537

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN4O5/c1-8-4-13(19(21)22)17-18(8)7-14(20)16-10-6-11(23-2)9(15)5-12(10)24-3/h4-6H,7H2,1-3H3,(H,16,20)
InChIKeyUZZWKTRZSJRDEL-UHFFFAOYSA-N
MW354.75 g/mol
LogP2.41
Rot. Bonds6

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

N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 1049537) has the molecular formula C14H15ClN4O5 and a molecular weight of 354.75 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID1049537
Molecular FormulaC14H15ClN4O5
Molecular Weight354.75 g/mol
Exact Mass354.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN4O5/c1-8-4-13(19(21)22)17-18(8)7-14(20)16-10-6-11(23-2)9(15)5-12(10)24-3/h4-6H,7H2,1-3H3,(H,16,20)
InChIKeyUZZWKTRZSJRDEL-UHFFFAOYSA-N
XLogP2.41
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 52.41
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

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-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1101539
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-(3-methoxy-5-nitrophenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 2172504
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 1049537) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is COc1cc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is UZZWKTRZSJRDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O5/c1-8-4-13(19(21)22)17-18(8)7-14(20)16-10-6-11(23-2)9(15)5-12(10)24-3/h4-6H,7H2,1-3H3,(H,16,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 354.75 g/mol, XLogP of 2.41, 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-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1049537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).