N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C23H23N3O3 — CID 55377380

IUPACN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3cc(C)nn3-c3cc(C)cc(C)c3)coc2c1
InChIInChI=1S/C23H23N3O3/c1-14-7-15(2)9-18(8-14)26-22(10-16(3)25-26)24-23(27)11-17-13-29-21-12-19(28-4)5-6-20(17)21/h5-10,12-13H,11H2,1-4H3,(H,24,27)
InChIKeyBVRKLHQADXCPDP-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.73
Rot. Bonds5

About N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 55377380) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID55377380
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)Nc3cc(C)nn3-c3cc(C)cc(C)c3)coc2c1
InChIInChI=1S/C23H23N3O3/c1-14-7-15(2)9-18(8-14)26-22(10-16(3)25-26)24-23(27)11-17-13-29-21-12-19(28-4)5-6-20(17)21/h5-10,12-13H,11H2,1-4H3,(H,24,27)
InChIKeyBVRKLHQADXCPDP-UHFFFAOYSA-N
XLogP4.73
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(6-methoxy-1-benzofuran-3-yl)acetohydrazide
CID 34988498
N-[2-[[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 75466540
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 51123237
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 55480827
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 24509636
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 55377380) is N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)Nc3cc(C)nn3-c3cc(C)cc(C)c3)coc2c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is BVRKLHQADXCPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-7-15(2)9-18(8-14)26-22(10-16(3)25-26)24-23(27)11-17-13-29-21-12-19(28-4)5-6-20(17)21/h5-10,12-13H,11H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 55377380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).