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

C18H24N4O5 — CID 35362555

IUPACN-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C18H24N4O5/c1-5-6-9-27-16-8-7-14(26-4)10-15(16)19-17(23)11-21-13(3)18(22(24)25)12(2)20-21/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,23)
InChIKeyDDOFHSXMNMMXBH-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.23
Rot. Bonds9

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

N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 35362555) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
PubChem CID35362555
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C18H24N4O5/c1-5-6-9-27-16-8-7-14(26-4)10-15(16)19-17(23)11-21-13(3)18(22(24)25)12(2)20-21/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,23)
InChIKeyDDOFHSXMNMMXBH-UHFFFAOYSA-N
XLogP3.23
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 19580192
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 42009753
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 4805380
methyl 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 34000551
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]acetamide
CID 19515738
N-(2,5-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 4865713
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 5423521
N-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 7277807
N-(2-butoxy-5-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864329
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 84601774
N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 35366389
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methoxy-2-nitrophenyl)-2-methylpropanamide
CID 19562125

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (CID 35362555) is N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is CCCCOc1ccc(OC)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is DDOFHSXMNMMXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-5-6-9-27-16-8-7-14(26-4)10-15(16)19-17(23)11-21-13(3)18(22(24)25)12(2)20-21/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,23).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 376.41 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 35362555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).