N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide

C19H18N4O5 — CID 19517005

IUPACN-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1ccccc1Oc1cc(NC(=O)Cn2ccc(C)n2)cc([N+](=O)[O-])c1
InChIInChI=1S/C19H18N4O5/c1-13-7-8-22(21-13)12-19(24)20-14-9-15(23(25)26)11-16(10-14)28-18-6-4-3-5-17(18)27-2/h3-11H,12H2,1-2H3,(H,20,24)
InChIKeyFVWWJAFVHYKQKH-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.54
Rot. Bonds7

About N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide

N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 19517005) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID19517005
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC NameN-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1ccccc1Oc1cc(NC(=O)Cn2ccc(C)n2)cc([N+](=O)[O-])c1
InChIInChI=1S/C19H18N4O5/c1-13-7-8-22(21-13)12-19(24)20-14-9-15(23(25)26)11-16(10-14)28-18-6-4-3-5-17(18)27-2/h3-11H,12H2,1-2H3,(H,20,24)
InChIKeyFVWWJAFVHYKQKH-UHFFFAOYSA-N
XLogP3.54
TPSA108.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.54
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

2-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]acetamide
CID 19516294
2-[2-[3-(2-methoxyphenoxy)-5-nitroanilino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485642
N-(2-methoxy-4-nitrophenyl)-2-(3-methylpyrazol-1-yl)acetamide
CID 19516847
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]acetamide
CID 19530353
N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530848
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19275454
2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]acetamide
CID 19521318
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]propanamide
CID 19541613
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19264390
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]acetamide
CID 19525830
2-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]acetamide
CID 19516282
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463175

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 19517005) is N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide is COc1ccccc1Oc1cc(NC(=O)Cn2ccc(C)n2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is FVWWJAFVHYKQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-13-7-8-22(21-13)12-19(24)20-14-9-15(23(25)26)11-16(10-14)28-18-6-4-3-5-17(18)27-2/h3-11H,12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 382.38 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19517005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).