N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

C21H23N3O3 — CID 134053810

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2cnn(-c3ccccc3)c2)c(OC)c1
InChIInChI=1S/C21H23N3O3/c1-15(19-10-9-18(26-2)12-20(19)27-3)23-21(25)11-16-13-22-24(14-16)17-7-5-4-6-8-17/h4-10,12-15H,11H2,1-3H3,(H,23,25)
InChIKeyMZSHVNAEACZMFL-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.31
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 134053810) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID134053810
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2cnn(-c3ccccc3)c2)c(OC)c1
InChIInChI=1S/C21H23N3O3/c1-15(19-10-9-18(26-2)12-20(19)27-3)23-21(25)11-16-13-22-24(14-16)17-7-5-4-6-8-17/h4-10,12-15H,11H2,1-3H3,(H,23,25)
InChIKeyMZSHVNAEACZMFL-UHFFFAOYSA-N
XLogP3.31
TPSA65.38 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18146630
N-[1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 71932804
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 97089117
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 46514677
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871732
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 134053810) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is COc1ccc(C(C)NC(=O)Cc2cnn(-c3ccccc3)c2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is MZSHVNAEACZMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(19-10-9-18(26-2)12-20(19)27-3)23-21(25)11-16-13-22-24(14-16)17-7-5-4-6-8-17/h4-10,12-15H,11H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134053810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).