N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide

C14H14F2N4O5 — CID 19516328

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
SMILESCOc1nn(CC(=O)Nc2cc(C)ccc2OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14F2N4O5/c1-8-3-4-11(25-14(15)16)9(5-8)17-12(21)7-19-6-10(20(22)23)13(18-19)24-2/h3-6,14H,7H2,1-2H3,(H,17,21)
InChIKeyRIHZZLPHYNPCSY-UHFFFAOYSA-N
MW356.29 g/mol
LogP2.35
Rot. Bonds7

About N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide

N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide (PubChem CID 19516328) has the molecular formula C14H14F2N4O5 and a molecular weight of 356.29 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
PubChem CID19516328
Molecular FormulaC14H14F2N4O5
Molecular Weight356.29 g/mol
Exact Mass356.09
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
SMILESCOc1nn(CC(=O)Nc2cc(C)ccc2OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14F2N4O5/c1-8-3-4-11(25-14(15)16)9(5-8)17-12(21)7-19-6-10(20(22)23)13(18-19)24-2/h3-6,14H,7H2,1-2H3,(H,17,21)
InChIKeyRIHZZLPHYNPCSY-UHFFFAOYSA-N
XLogP2.35
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide (CID 19516328) is N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide is COc1nn(CC(=O)Nc2cc(C)ccc2OC(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide?
The InChIKey is RIHZZLPHYNPCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O5/c1-8-3-4-11(25-14(15)16)9(5-8)17-12(21)7-19-6-10(20(22)23)13(18-19)24-2/h3-6,14H,7H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide has a molecular weight of 356.29 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19516328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).