N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide

C14H14F2N4O4 — CID 19522526

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(OC(F)F)c1
InChIInChI=1S/C14H14F2N4O4/c1-8-3-4-10(12(5-8)24-14(15)16)18-13(21)7-19-9(2)11(6-17-19)20(22)23/h3-6,14H,7H2,1-2H3,(H,18,21)
InChIKeyQEKVHFPGDWCERB-UHFFFAOYSA-N
MW340.29 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide

N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 19522526) has the molecular formula C14H14F2N4O4 and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
PubChem CID19522526
Molecular FormulaC14H14F2N4O4
Molecular Weight340.29 g/mol
Exact Mass340.10
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(OC(F)F)c1
InChIInChI=1S/C14H14F2N4O4/c1-8-3-4-10(12(5-8)24-14(15)16)18-13(21)7-19-9(2)11(6-17-19)20(22)23/h3-6,14H,7H2,1-2H3,(H,18,21)
InChIKeyQEKVHFPGDWCERB-UHFFFAOYSA-N
XLogP2.65
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
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-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522617
N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552093
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522251
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-methylphenyl]acetamide
CID 19526148
N-(4-methyl-3,5-dinitrophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522574
N-[2-(difluoromethoxy)-5-methylphenyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478446
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553510
ethyl (2R)-2-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-3-sulfanylpropanoate
CID 19584451
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-methylphenyl]acetamide
CID 19505802
1-[2-(difluoromethoxy)-4-methylphenyl]-3-(3-nitrophenyl)urea
CID 971966

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide (CID 19522526) is N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is QEKVHFPGDWCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O4/c1-8-3-4-10(12(5-8)24-14(15)16)18-13(21)7-19-9(2)11(6-17-19)20(22)23/h3-6,14H,7H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 340.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19522526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).