N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

C22H21N3O3 — CID 2081485

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1
InChIInChI=1S/C22H21N3O3/c1-14-9-10-18-16(13-28-19(18)11-14)12-20(26)23-21-15(2)24(3)25(22(21)27)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyRCZASMAMEPGKAQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.72
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 2081485) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID2081485
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1
InChIInChI=1S/C22H21N3O3/c1-14-9-10-18-16(13-28-19(18)11-14)12-20(26)23-21-15(2)24(3)25(22(21)27)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyRCZASMAMEPGKAQ-UHFFFAOYSA-N
XLogP3.72
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-{[(6-methyl-1-benzofuran-3-yl)acetyl]amino}-1-benzofuran-2-carboxamide
CID 16012935
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 2467896
2-(6-Methyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2546081
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-YL)-3-methyl-1-benzofuran-2-carboxamide
CID 1157494
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 986574
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,4,6-trimethyl-1-benzofuran-2-carboxamide
CID 986577
5-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 986578
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 1305755
1-[(6-Methyl-1-benzofuran-3-yl)acetyl]indoline
CID 2080542
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 2413310
4-[[2-(6,7-dihydro-5H-cyclopenta[f]benzofuran-3-yl)acetyl]amino]benzoic acid ethyl ester
CID 2481225
2-(6-methyl-1-benzofuran-3-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2534967

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 2081485) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is RCZASMAMEPGKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-9-10-18-16(13-28-19(18)11-14)12-20(26)23-21-15(2)24(3)25(22(21)27)17-7-5-4-6-8-17/h4-11,13H,12H2,1-3H3,(H,23,26).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 2081485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).