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

C14H16N4O5 — CID 749088

IUPACN-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1OC
InChIInChI=1S/C14H16N4O5/c1-9-6-13(18(20)21)16-17(9)8-14(19)15-10-4-5-11(22-2)12(7-10)23-3/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyAMUFTTNMJGTMKX-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.76
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 749088) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID749088
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1OC
InChIInChI=1S/C14H16N4O5/c1-9-6-13(18(20)21)16-17(9)8-14(19)15-10-4-5-11(22-2)12(7-10)23-3/h4-7H,8H2,1-3H3,(H,15,19)
InChIKeyAMUFTTNMJGTMKX-UHFFFAOYSA-N
XLogP1.76
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.76
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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 749088) is N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is AMUFTTNMJGTMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-9-6-13(18(20)21)16-17(9)8-14(19)15-10-4-5-11(22-2)12(7-10)23-3/h4-7H,8H2,1-3H3,(H,15,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 749088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).