2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide

C21H23N3O3 — CID 72837890

IUPAC2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCOc1ccccc1COc1ccccc1-c1c(C)nn(CC(N)=O)c1C
InChIInChI=1S/C21H23N3O3/c1-14-21(15(2)24(23-14)12-20(22)25)17-9-5-7-11-19(17)27-13-16-8-4-6-10-18(16)26-3/h4-11H,12-13H2,1-3H3,(H2,22,25)
InChIKeyWMIYEABHBSFSHV-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.24
Rot. Bonds7

About 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide

2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 72837890) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID72837890
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCOc1ccccc1COc1ccccc1-c1c(C)nn(CC(N)=O)c1C
InChIInChI=1S/C21H23N3O3/c1-14-21(15(2)24(23-14)12-20(22)25)17-9-5-7-11-19(17)27-13-16-8-4-6-10-18(16)26-3/h4-11H,12-13H2,1-3H3,(H2,22,25)
InChIKeyWMIYEABHBSFSHV-UHFFFAOYSA-N
XLogP3.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide (CID 72837890) is 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide is COc1ccccc1COc1ccccc1-c1c(C)nn(CC(N)=O)c1C.
What is the InChIKey of 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is WMIYEABHBSFSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-21(15(2)24(23-14)12-20(22)25)17-9-5-7-11-19(17)27-13-16-8-4-6-10-18(16)26-3/h4-11H,12-13H2,1-3H3,(H2,22,25).
What are the key properties of 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide?
2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 72837890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).