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

C15H18N4O5 — CID 749625

IUPACN-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1
InChIInChI=1S/C15H18N4O5/c1-9-15(19(21)22)10(2)18(17-9)8-14(20)16-12-6-5-11(23-3)7-13(12)24-4/h5-7H,8H2,1-4H3,(H,16,20)
InChIKeyBGJKKECFJVJHOQ-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.06
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 749625) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
PubChem CID749625
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1
InChIInChI=1S/C15H18N4O5/c1-9-15(19(21)22)10(2)18(17-9)8-14(20)16-12-6-5-11(23-3)7-13(12)24-4/h5-7H,8H2,1-4H3,(H,16,20)
InChIKeyBGJKKECFJVJHOQ-UHFFFAOYSA-N
XLogP2.06
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.06
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-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide (CID 749625) is N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is COc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is BGJKKECFJVJHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c1-9-15(19(21)22)10(2)18(17-9)8-14(20)16-12-6-5-11(23-3)7-13(12)24-4/h5-7H,8H2,1-4H3,(H,16,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide?
N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 334.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 749625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).