N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide

C14H14F2N4O5 — CID 19522617

IUPACN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)ccc1OC(F)F
InChIInChI=1S/C14H14F2N4O5/c1-8-10(20(22)23)6-17-19(8)7-13(21)18-9-3-4-11(25-14(15)16)12(5-9)24-2/h3-6,14H,7H2,1-2H3,(H,18,21)
InChIKeyIGTIEQXMHFEMFE-UHFFFAOYSA-N
MW356.29 g/mol
LogP2.35
Rot. Bonds7

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

N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 19522617) has the molecular formula C14H14F2N4O5 and a molecular weight of 356.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
PubChem CID19522617
Molecular FormulaC14H14F2N4O5
Molecular Weight356.29 g/mol
Exact Mass356.09
IUPAC NameN-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)ccc1OC(F)F
InChIInChI=1S/C14H14F2N4O5/c1-8-10(20(22)23)6-17-19(8)7-13(21)18-9-3-4-11(25-14(15)16)12(5-9)24-2/h3-6,14H,7H2,1-2H3,(H,18,21)
InChIKeyIGTIEQXMHFEMFE-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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Related Compounds

N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522526
3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19554010
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
N-(4-methyl-3,5-dinitrophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522574
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530659
N-[4-(difluoromethoxy)-3-methoxyphenyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266603
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522576
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 17024228
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19528647
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide (CID 19522617) is N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide is COc1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)ccc1OC(F)F.
What is the InChIKey of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is IGTIEQXMHFEMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O5/c1-8-10(20(22)23)6-17-19(8)7-13(21)18-9-3-4-11(25-14(15)16)12(5-9)24-2/h3-6,14H,7H2,1-2H3,(H,18,21).
What are the key properties of N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide?
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-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-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19522617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).