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

C14H15N5O7 — CID 2861328

IUPACN-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(OC)c1
InChIInChI=1S/C14H15N5O7/c1-8-13(18(21)22)14(19(23)24)16-17(8)7-12(20)15-10-5-4-9(25-2)6-11(10)26-3/h4-6H,7H2,1-3H3,(H,15,20)
InChIKeyJRLHQZTVUAVDFN-UHFFFAOYSA-N
MW365.30 g/mol
LogP1.66
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide (PubChem CID 2861328) has the molecular formula C14H15N5O7 and a molecular weight of 365.30 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
PubChem CID2861328
Molecular FormulaC14H15N5O7
Molecular Weight365.30 g/mol
Exact Mass365.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(OC)c1
InChIInChI=1S/C14H15N5O7/c1-8-13(18(21)22)14(19(23)24)16-17(8)7-12(20)15-10-5-4-9(25-2)6-11(10)26-3/h4-6H,7H2,1-3H3,(H,15,20)
InChIKeyJRLHQZTVUAVDFN-UHFFFAOYSA-N
XLogP1.66
TPSA151.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide (CID 2861328) is N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide is COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
The InChIKey is JRLHQZTVUAVDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O7/c1-8-13(18(21)22)14(19(23)24)16-17(8)7-12(20)15-10-5-4-9(25-2)6-11(10)26-3/h4-6H,7H2,1-3H3,(H,15,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide has a molecular weight of 365.30 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(5-methyl-3,4-dinitropyrazol-1-yl)acetamide is sourced from PubChem (CID 2861328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).