N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide

C20H21N3O3 — CID 35579074

IUPACN-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(Cn2nccc2NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-3-7-18(8-4-15)26-14-20(24)22-19-11-12-21-23(19)13-16-5-9-17(25-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeyPNSQHCHHXBUHPC-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide

N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 35579074) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
PubChem CID35579074
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
SMILESCOc1ccc(Cn2nccc2NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-15-3-7-18(8-4-15)26-14-20(24)22-19-11-12-21-23(19)13-16-5-9-17(25-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeyPNSQHCHHXBUHPC-UHFFFAOYSA-N
XLogP3.27
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 112814343
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 35767660
2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806510
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
CID 35579716
N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46616354
N-(2-butan-2-ylpyrazol-3-yl)-2-(4-methoxyphenoxy)acetamide
CID 43843335
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide (CID 35579074) is N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide is COc1ccc(Cn2nccc2NC(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is PNSQHCHHXBUHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15-3-7-18(8-4-15)26-14-20(24)22-19-11-12-21-23(19)13-16-5-9-17(25-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide?
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 35579074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).