N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide

C11H12N6O3 — CID 161113721

IUPACN-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cn(-c2cncnc2[N+](=O)[O-])nc1C
InChIInChI=1S/C11H12N6O3/c1-7-10(15(3)8(2)18)5-16(14-7)9-4-12-6-13-11(9)17(19)20/h4-6H,1-3H3
InChIKeyUKAOUBURKBWMRE-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.86
Rot. Bonds3

About N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide

N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide (PubChem CID 161113721) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide
PubChem CID161113721
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC NameN-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide
SMILESCC(=O)N(C)c1cn(-c2cncnc2[N+](=O)[O-])nc1C
InChIInChI=1S/C11H12N6O3/c1-7-10(15(3)8(2)18)5-16(14-7)9-4-12-6-13-11(9)17(19)20/h4-6H,1-3H3
InChIKeyUKAOUBURKBWMRE-UHFFFAOYSA-N
XLogP0.86
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
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-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide?
The IUPAC name of N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide (CID 161113721) is N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide is CC(=O)N(C)c1cn(-c2cncnc2[N+](=O)[O-])nc1C.
What is the InChIKey of N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide?
The InChIKey is UKAOUBURKBWMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-7-10(15(3)8(2)18)5-16(14-7)9-4-12-6-13-11(9)17(19)20/h4-6H,1-3H3.
What are the key properties of N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide?
N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-methyl-1-(4-nitropyrimidin-5-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 161113721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).