N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide

C15H15F2N5O4 — CID 19528981

IUPACN-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nc(C(F)F)c([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C15H15F2N5O4/c1-8-14(22(25)26)13(15(16)17)20-21(8)7-12(24)19-11-5-3-10(4-6-11)18-9(2)23/h3-6,15H,7H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyLZJQPZTYXVSBMG-UHFFFAOYSA-N
MW367.31 g/mol
LogP2.63
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide (PubChem CID 19528981) has the molecular formula C15H15F2N5O4 and a molecular weight of 367.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide
PubChem CID19528981
Molecular FormulaC15H15F2N5O4
Molecular Weight367.31 g/mol
Exact Mass367.11
IUPAC NameN-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nc(C(F)F)c([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C15H15F2N5O4/c1-8-14(22(25)26)13(15(16)17)20-21(8)7-12(24)19-11-5-3-10(4-6-11)18-9(2)23/h3-6,15H,7H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyLZJQPZTYXVSBMG-UHFFFAOYSA-N
XLogP2.63
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 52.63
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

2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-(4-methyl-3,5-dinitrophenyl)acetamide
CID 19529152
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346261
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 19529264
N-(3-chloro-2-methylphenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide
CID 19528963
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide
CID 19529260
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 19529035
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19529197
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19402173
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19529246
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7777773
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19529030
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19529033

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide (CID 19528981) is N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cn2nc(C(F)F)c([N+](=O)[O-])c2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide?
The InChIKey is LZJQPZTYXVSBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O4/c1-8-14(22(25)26)13(15(16)17)20-21(8)7-12(24)19-11-5-3-10(4-6-11)18-9(2)23/h3-6,15H,7H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide has a molecular weight of 367.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]acetamide is sourced from PubChem (CID 19528981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).