2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide

C20H20ClN3O3 — CID 2424036

IUPAC2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)COc1cc(C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3/c1-14-11-20(24(23-14)17-9-7-16(21)8-10-17)27-13-19(25)22-12-15-5-3-4-6-18(15)26-2/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyHMVJBVNFMGIJCG-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.54
Rot. Bonds7

About 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide

2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 2424036) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID2424036
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)COc1cc(C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O3/c1-14-11-20(24(23-14)17-9-7-16(21)8-10-17)27-13-19(25)22-12-15-5-3-4-6-18(15)26-2/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyHMVJBVNFMGIJCG-UHFFFAOYSA-N
XLogP3.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide (CID 2424036) is 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)COc1cc(C)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is HMVJBVNFMGIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-14-11-20(24(23-14)17-9-7-16(21)8-10-17)27-13-19(25)22-12-15-5-3-4-6-18(15)26-2/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide?
2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 385.85 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]oxy-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2424036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).