2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide

C22H25N3O3 — CID 42686366

IUPAC2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(CCc2n[nH]c(C)c2NC(=O)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C22H25N3O3/c1-15-22(23-21(26)14-17-5-4-6-19(13-17)28-3)20(25-24-15)12-9-16-7-10-18(27-2)11-8-16/h4-8,10-11,13H,9,12,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyYTIYDZRJLZBAMT-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.70
Rot. Bonds8

About 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide

2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide (PubChem CID 42686366) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
PubChem CID42686366
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(CCc2n[nH]c(C)c2NC(=O)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C22H25N3O3/c1-15-22(23-21(26)14-17-5-4-6-19(13-17)28-3)20(25-24-15)12-9-16-7-10-18(27-2)11-8-16/h4-8,10-11,13H,9,12,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyYTIYDZRJLZBAMT-UHFFFAOYSA-N
XLogP3.70
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42686342
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 42874156
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43402634
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(3-methoxyphenyl)acetamide
CID 46290554
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-[5-(1-ethyl-6-methoxyindol-2-yl)-1H-pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 53196168

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide (CID 42686366) is 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide is COc1ccc(CCc2n[nH]c(C)c2NC(=O)Cc2cccc(OC)c2)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is YTIYDZRJLZBAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-22(23-21(26)14-17-5-4-6-19(13-17)28-3)20(25-24-15)12-9-16-7-10-18(27-2)11-8-16/h4-8,10-11,13H,9,12,14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide?
2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42686366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).