2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide

C11H9F2N5O3 — CID 86780545

IUPAC2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(Nc2c(F)cc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C11H9F2N5O3/c12-8-1-7(18(20)21)2-9(13)11(8)16-6-3-15-17(4-6)5-10(14)19/h1-4,16H,5H2,(H2,14,19)
InChIKeyODFMMBSCJKNOCY-UHFFFAOYSA-N
MW297.22 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide

2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide (PubChem CID 86780545) has the molecular formula C11H9F2N5O3 and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide
PubChem CID86780545
Molecular FormulaC11H9F2N5O3
Molecular Weight297.22 g/mol
Exact Mass297.07
IUPAC Name2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(Nc2c(F)cc([N+](=O)[O-])cc2F)cn1
InChIInChI=1S/C11H9F2N5O3/c12-8-1-7(18(20)21)2-9(13)11(8)16-6-3-15-17(4-6)5-10(14)19/h1-4,16H,5H2,(H2,14,19)
InChIKeyODFMMBSCJKNOCY-UHFFFAOYSA-N
XLogP1.30
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 103828470
2-[4-[(5-nitrofuran-2-yl)methylamino]pyrazol-1-yl]acetamide
CID 43783547
N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 104917216
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-[1-(3,4-difluorophenyl)ethylamino]pyrazol-1-yl]acetamide
CID 43695171
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
N-(2,6-dibromo-4-nitrophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526405
N-(2,6-dibromo-4-nitrophenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515910
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 112606480
1-(aminomethyl)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 81489718

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide (CID 86780545) is 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide is NC(=O)Cn1cc(Nc2c(F)cc([N+](=O)[O-])cc2F)cn1.
What is the InChIKey of 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide?
The InChIKey is ODFMMBSCJKNOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N5O3/c12-8-1-7(18(20)21)2-9(13)11(8)16-6-3-15-17(4-6)5-10(14)19/h1-4,16H,5H2,(H2,14,19).
What are the key properties of 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide?
2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide has a molecular weight of 297.22 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-difluoro-4-nitroanilino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 86780545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).