N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C14H20N6O3 — CID 19521356

IUPACN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCCn1ncc(C(C)NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1C
InChIInChI=1S/C14H20N6O3/c1-5-18-11(4)12(7-15-18)10(3)16-14(21)8-19-9(2)6-13(17-19)20(22)23/h6-7,10H,5,8H2,1-4H3,(H,16,21)
InChIKeyQCSPJEVCEFFYHK-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.50
Rot. Bonds6

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

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 19521356) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID19521356
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCCn1ncc(C(C)NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1C
InChIInChI=1S/C14H20N6O3/c1-5-18-11(4)12(7-15-18)10(3)16-14(21)8-19-9(2)6-13(17-19)20(22)23/h6-7,10H,5,8H2,1-4H3,(H,16,21)
InChIKeyQCSPJEVCEFFYHK-UHFFFAOYSA-N
XLogP1.50
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.50
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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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 100648201
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521433
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19530300
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19497434
ethyl 2-(5-methyl-3-nitropyrazol-1-yl)acetate
CID 771926
1-(chloromethyl)-5-methyl-3-nitropyrazole
CID 7172341
2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19521275
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521391
N-(1-ethyl-5-methylpyrazol-4-yl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553584
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[(1R)-1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 29091639
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19505830
N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749619

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 19521356) is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is CCn1ncc(C(C)NC(=O)Cn2nc([N+](=O)[O-])cc2C)c1C.
What is the InChIKey of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is QCSPJEVCEFFYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-5-18-11(4)12(7-15-18)10(3)16-14(21)8-19-9(2)6-13(17-19)20(22)23/h6-7,10H,5,8H2,1-4H3,(H,16,21).
What are the key properties of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).