N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide

C11H14N6O3 — CID 19521521

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCc1c(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cnn1C
InChIInChI=1S/C11H14N6O3/c1-8-9(6-13-15(8)2)5-12-11(18)7-16-4-3-10(14-16)17(19)20/h3-4,6H,5,7H2,1-2H3,(H,12,18)
InChIKeyAZSZPKGFSPDNFS-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.15
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521521) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521521
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
SMILESCc1c(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cnn1C
InChIInChI=1S/C11H14N6O3/c1-8-9(6-13-15(8)2)5-12-11(18)7-16-4-3-10(14-16)17(19)20/h3-4,6H,5,7H2,1-2H3,(H,12,18)
InChIKeyAZSZPKGFSPDNFS-UHFFFAOYSA-N
XLogP0.15
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.15
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-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide (CID 19521521) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide is Cc1c(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is AZSZPKGFSPDNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-8-9(6-13-15(8)2)5-12-11(18)7-16-4-3-10(14-16)17(19)20/h3-4,6H,5,7H2,1-2H3,(H,12,18).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 278.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).