N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C14H16N4O4 — CID 19521238

IUPACN-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C14H16N4O4/c1-9-4-5-12(22-3)11(6-9)15-14(19)8-17-10(2)7-13(16-17)18(20)21/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyFCJXAAWIVKWNIZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.06
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 19521238) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID19521238
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C14H16N4O4/c1-9-4-5-12(22-3)11(6-9)15-14(19)8-17-10(2)7-13(16-17)18(20)21/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyFCJXAAWIVKWNIZ-UHFFFAOYSA-N
XLogP2.06
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 19521238) is N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is COc1ccc(C)cc1NC(=O)Cn1nc([N+](=O)[O-])cc1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is FCJXAAWIVKWNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-9-4-5-12(22-3)11(6-9)15-14(19)8-17-10(2)7-13(16-17)18(20)21/h4-7H,8H2,1-3H3,(H,15,19).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).