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

C13H16F2N6O3 — CID 19283150

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCCn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H16F2N6O3/c1-8-5-10(13(14)15)17-20(8)7-12(22)16-3-4-19-9(2)6-11(18-19)21(23)24/h5-6,13H,3-4,7H2,1-2H3,(H,16,22)
InChIKeyMPJZSVYMZUVKEU-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.36
Rot. Bonds7

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

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide (PubChem CID 19283150) has the molecular formula C13H16F2N6O3 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
PubChem CID19283150
Molecular FormulaC13H16F2N6O3
Molecular Weight342.31 g/mol
Exact Mass342.13
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCCn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C13H16F2N6O3/c1-8-5-10(13(14)15)17-20(8)7-12(22)16-3-4-19-9(2)6-11(18-19)21(23)24/h5-6,13H,3-4,7H2,1-2H3,(H,16,22)
InChIKeyMPJZSVYMZUVKEU-UHFFFAOYSA-N
XLogP1.36
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.36
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

1-(3,5-Dimethylpyrazolyl)-2-(5-methyl-3-nitropyrazolyl)ethan-1-one
CID 1508889
N-Cyclohexyl-2-(5-methyl-3-nitro-pyrazol-1-yl)-acetamide
CID 749619
4-bromo-1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-5-methyl-3-nitro-1H-pyrazole
CID 1510459
4-bromo-1-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methyl-2-oxoethyl]-5-methyl-3-nitro-1H-pyrazole
CID 2984301
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35527730
1-(4-Chloro-3,5-dimethyl-1-pyrazolyl)-2-(5-methyl-3-nitro-1-pyrazolyl)ethanone
CID 1257352
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 749077
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 3336818
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 46995716
2-(5-Methyl-3-nitropyrazolyl)-1-pyrrolidinylethan-1-one
CID 1101528
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}propanamide
CID 4867240
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}propanamide
CID 17024385

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide (CID 19283150) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide is Cc1cc(C(F)F)nn1CC(=O)NCCn1nc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The InChIKey is MPJZSVYMZUVKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N6O3/c1-8-5-10(13(14)15)17-20(8)7-12(22)16-3-4-19-9(2)6-11(18-19)21(23)24/h5-6,13H,3-4,7H2,1-2H3,(H,16,22).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide has a molecular weight of 342.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 19283150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).