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

C15H19N3O2 — CID 42686342

IUPACN-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(CCc2n[nH]c(C)c2NC(C)=O)cc1
InChIInChI=1S/C15H19N3O2/c1-10-15(16-11(2)19)14(18-17-10)9-6-12-4-7-13(20-3)8-5-12/h4-5,7-8H,6,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQXVXTFIGQFFTJT-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.47
Rot. Bonds5

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

N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide (PubChem CID 42686342) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
PubChem CID42686342
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(CCc2n[nH]c(C)c2NC(C)=O)cc1
InChIInChI=1S/C15H19N3O2/c1-10-15(16-11(2)19)14(18-17-10)9-6-12-4-7-13(20-3)8-5-12/h4-5,7-8H,6,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQXVXTFIGQFFTJT-UHFFFAOYSA-N
XLogP2.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42686366
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
4-chloro-N-[3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686376
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[5-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 71705341
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674
5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
CID 71252696
1-[2-(4-methoxyphenyl)ethyl-methylphosphanyl]ethanone
CID 156754272
3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide
CID 110732503
2-(4-acetamidophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2461039

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide (CID 42686342) is N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide is COc1ccc(CCc2n[nH]c(C)c2NC(C)=O)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is QXVXTFIGQFFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-15(16-11(2)19)14(18-17-10)9-6-12-4-7-13(20-3)8-5-12/h4-5,7-8H,6,9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide?
N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42686342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).