N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide

C23H28N4O2 — CID 9433463

IUPACN-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C23H28N4O2/c1-4-24-22(28)17-26(5-2)15-19-16-27(20-9-7-6-8-10-20)25-23(19)18-11-13-21(29-3)14-12-18/h6-14,16H,4-5,15,17H2,1-3H3,(H,24,28)
InChIKeyIPEHTPLIYSIYTE-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.51
Rot. Bonds9

About N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide

N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide (PubChem CID 9433463) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
PubChem CID9433463
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
SMILESCCNC(=O)CN(CC)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C23H28N4O2/c1-4-24-22(28)17-26(5-2)15-19-16-27(20-9-7-6-8-10-20)25-23(19)18-11-13-21(29-3)14-12-18/h6-14,16H,4-5,15,17H2,1-3H3,(H,24,28)
InChIKeyIPEHTPLIYSIYTE-UHFFFAOYSA-N
XLogP3.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
N-ethyl-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazine-1-carboxamide
CID 78818674
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide
CID 119498729
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 134049672
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 39791312
(E)-4-[(4-fluorophenyl)methyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid
CID 2393249
2-[ethyl-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]ethanol
CID 26392310
2-[(2,5-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 8683962
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050268

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide (CID 9433463) is N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide is CCNC(=O)CN(CC)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide?
The InChIKey is IPEHTPLIYSIYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-24-22(28)17-26(5-2)15-19-16-27(20-9-7-6-8-10-20)25-23(19)18-11-13-21(29-3)14-12-18/h6-14,16H,4-5,15,17H2,1-3H3,(H,24,28).
What are the key properties of N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide?
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide is sourced from PubChem (CID 9433463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).