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

C19H18N4O4 — CID 19516909

IUPACN-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)Nc2cc(Oc3ccccc3C)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H18N4O4/c1-13-5-3-4-6-18(13)27-17-10-15(9-16(11-17)23(25)26)20-19(24)12-22-8-7-14(2)21-22/h3-11H,12H2,1-2H3,(H,20,24)
InChIKeyZSLZGSKKFGJSFP-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.84
Rot. Bonds6

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

N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 19516909) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID19516909
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)Nc2cc(Oc3ccccc3C)cc([N+](=O)[O-])c2)n1
InChIInChI=1S/C19H18N4O4/c1-13-5-3-4-6-18(13)27-17-10-15(9-16(11-17)23(25)26)20-19(24)12-22-8-7-14(2)21-22/h3-11H,12H2,1-2H3,(H,20,24)
InChIKeyZSLZGSKKFGJSFP-UHFFFAOYSA-N
XLogP3.84
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.84
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 19516909) is N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)Nc2cc(Oc3ccccc3C)cc([N+](=O)[O-])c2)n1.
What is the InChIKey of N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is ZSLZGSKKFGJSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-13-5-3-4-6-18(13)27-17-10-15(9-16(11-17)23(25)26)20-19(24)12-22-8-7-14(2)21-22/h3-11H,12H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylphenoxy)-5-nitrophenyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 19516909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).