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

C13H15F3N6O3 — CID 19524236

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1c(CNC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)cnn1C
InChIInChI=1S/C13H15F3N6O3/c1-7-9(5-18-20(7)3)4-17-10(23)6-21-8(2)11(22(24)25)12(19-21)13(14,15)16/h5H,4,6H2,1-3H3,(H,17,23)
InChIKeyPJSLMZBEEAFIMR-UHFFFAOYSA-N
MW360.30 g/mol
LogP1.48
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19524236) has the molecular formula C13H15F3N6O3 and a molecular weight of 360.30 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19524236
Molecular FormulaC13H15F3N6O3
Molecular Weight360.30 g/mol
Exact Mass360.12
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1c(CNC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)cnn1C
InChIInChI=1S/C13H15F3N6O3/c1-7-9(5-18-20(7)3)4-17-10(23)6-21-8(2)11(22(24)25)12(19-21)13(14,15)16/h5H,4,6H2,1-3H3,(H,17,23)
InChIKeyPJSLMZBEEAFIMR-UHFFFAOYSA-N
XLogP1.48
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 51.48
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

3-{4-nitro-1H-pyrazol-1-yl}-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]propanohydrazide
CID 6875189
1-methyl-N-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4771056
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 4773185
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4773433
2-[3,5-Bis(difluoromethyl)-1H-pyrazol-1-YL]-N~1~-[(1-methyl-1H-pyrazol-4-YL)methyl]acetamide
CID 4773500
2-(5-methyl-4-nitro-1H-pyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
CID 17022863
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 19579656
N-[3-(4-nitro-1H-pyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]butanamide
CID 19590993
1-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitro-1H-pyrazol-1-yl)ethanone
CID 1258152
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 4867038
3-(5-methyl-4-nitro-1H-pyrazol-1-yl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}propanamide
CID 4867240
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 16373795

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19524236) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1c(CNC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is PJSLMZBEEAFIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O3/c1-7-9(5-18-20(7)3)4-17-10(23)6-21-8(2)11(22(24)25)12(19-21)13(14,15)16/h5H,4,6H2,1-3H3,(H,17,23).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 360.30 g/mol, XLogP of 1.48, 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-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19524236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).