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

C13H12Cl2N4O4 — CID 3106235

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C
InChIInChI=1S/C13H12Cl2N4O4/c1-7-12(15)13(19(21)22)17-18(7)6-11(20)16-9-5-8(14)3-4-10(9)23-2/h3-5H,6H2,1-2H3,(H,16,20)
InChIKeyALAOLQPWGGLORV-UHFFFAOYSA-N
MW359.17 g/mol
LogP3.05
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 3106235) has the molecular formula C13H12Cl2N4O4 and a molecular weight of 359.17 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID3106235
Molecular FormulaC13H12Cl2N4O4
Molecular Weight359.17 g/mol
Exact Mass358.02
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C
InChIInChI=1S/C13H12Cl2N4O4/c1-7-12(15)13(19(21)22)17-18(7)6-11(20)16-9-5-8(14)3-4-10(9)23-2/h3-5H,6H2,1-2H3,(H,16,20)
InChIKeyALAOLQPWGGLORV-UHFFFAOYSA-N
XLogP3.05
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 53.05
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

2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 1101540
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1049537
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
N-(5-chloro-2-methoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711713
2-(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-YL)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1101541
2-[[1-(2-amino-2-oxoethyl)pyrazol-3-yl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51091036
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
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 749100
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 749111
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1101539
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-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide (CID 3106235) is N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is ALAOLQPWGGLORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O4/c1-7-12(15)13(19(21)22)17-18(7)6-11(20)16-9-5-8(14)3-4-10(9)23-2/h3-5H,6H2,1-2H3,(H,16,20).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 359.17 g/mol, XLogP of 3.05, 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-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 3106235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).