2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide

C10H8F4N6O3 — CID 4773185

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H8F4N6O3/c11-9(12)6-1-7(10(13)14)18(16-6)4-8(21)17-19-3-5(2-15-19)20(22)23/h1-3,9-10H,4H2,(H,17,21)
InChIKeyMARXYRCROAVSGH-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.63
Rot. Bonds6

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide (PubChem CID 4773185) has the molecular formula C10H8F4N6O3 and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide
PubChem CID4773185
Molecular FormulaC10H8F4N6O3
Molecular Weight336.21 g/mol
Exact Mass336.06
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H8F4N6O3/c11-9(12)6-1-7(10(13)14)18(16-6)4-8(21)17-19-3-5(2-15-19)20(22)23/h1-3,9-10H,4H2,(H,17,21)
InChIKeyMARXYRCROAVSGH-UHFFFAOYSA-N
XLogP1.63
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.63
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

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]acetamide
CID 19518115
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19517987
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19518049
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 19518008
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylacetamide
CID 19518003
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4765482
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2-nitrophenyl)acetamide
CID 4867079
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 119055937
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5430332
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 43357618
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide (CID 4773185) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1nc(C(F)F)cc1C(F)F)Nn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is MARXYRCROAVSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N6O3/c11-9(12)6-1-7(10(13)14)18(16-6)4-8(21)17-19-3-5(2-15-19)20(22)23/h1-3,9-10H,4H2,(H,17,21).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 336.21 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 4773185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).