N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

C22H24N4O2 — CID 55585413

IUPACN-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)c2cccc(NC(C)=O)c2)cnn1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-4-21-20(14-23-26(21)19-11-6-5-7-12-19)22(28)24-15(2)17-9-8-10-18(13-17)25-16(3)27/h5-15H,4H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyTVVFSKGMYPPNGU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.88
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 55585413) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID55585413
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)c2cccc(NC(C)=O)c2)cnn1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-4-21-20(14-23-26(21)19-11-6-5-7-12-19)22(28)24-15(2)17-9-8-10-18(13-17)25-16(3)27/h5-15H,4H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyTVVFSKGMYPPNGU-UHFFFAOYSA-N
XLogP3.88
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46580476
N-[1-(3-acetamidophenyl)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46581987
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55990233
N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46402331

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (CID 55585413) is N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NC(C)c2cccc(NC(C)=O)c2)cnn1-c1ccccc1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is TVVFSKGMYPPNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-21-20(14-23-26(21)19-11-6-5-7-12-19)22(28)24-15(2)17-9-8-10-18(13-17)25-16(3)27/h5-15H,4H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55585413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).