N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide

C23H28N4O2 — CID 92566097

IUPACN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)cc1
InChIInChI=1S/C23H28N4O2/c1-26(2)16-20-14-22(25-27(20)3)19-9-5-18(6-10-19)15-24-23(28)13-17-7-11-21(29-4)12-8-17/h5-12,14H,13,15-16H2,1-4H3,(H,24,28)
InChIKeyOJBSLKBKPIUBEF-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.02
Rot. Bonds8

About N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 92566097) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID92566097
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)cc1
InChIInChI=1S/C23H28N4O2/c1-26(2)16-20-14-22(25-27(20)3)19-9-5-18(6-10-19)15-24-23(28)13-17-7-11-21(29-4)12-8-17/h5-12,14H,13,15-16H2,1-4H3,(H,24,28)
InChIKeyOJBSLKBKPIUBEF-UHFFFAOYSA-N
XLogP3.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-(4-bromophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515797
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515745
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
CID 92620909
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 31449553
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444297
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide (CID 92566097) is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)cc1.
What is the InChIKey of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is OJBSLKBKPIUBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-26(2)16-20-14-22(25-27(20)3)19-9-5-18(6-10-19)15-24-23(28)13-17-7-11-21(29-4)12-8-17/h5-12,14H,13,15-16H2,1-4H3,(H,24,28).
What are the key properties of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 92566097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).