N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C25H27N3O2 — CID 8944117

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCc3c(C)nn(Cc4ccccc4)c3C)coc2c1C
InChIInChI=1S/C25H27N3O2/c1-16-10-11-22-21(15-30-25(22)17(16)2)12-24(29)26-13-23-18(3)27-28(19(23)4)14-20-8-6-5-7-9-20/h5-11,15H,12-14H2,1-4H3,(H,26,29)
InChIKeyZUAZETMDXFBGSM-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.77
Rot. Bonds6

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 8944117) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID8944117
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCc3c(C)nn(Cc4ccccc4)c3C)coc2c1C
InChIInChI=1S/C25H27N3O2/c1-16-10-11-22-21(15-30-25(22)17(16)2)12-24(29)26-13-23-18(3)27-28(19(23)4)14-20-8-6-5-7-9-20/h5-11,15H,12-14H2,1-4H3,(H,26,29)
InChIKeyZUAZETMDXFBGSM-UHFFFAOYSA-N
XLogP4.77
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 51278295
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]-2-methylbenzamide
CID 8944660
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 8944686
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954134
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
CID 18129608
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24564882

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 8944117) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NCc3c(C)nn(Cc4ccccc4)c3C)coc2c1C.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is ZUAZETMDXFBGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-16-10-11-22-21(15-30-25(22)17(16)2)12-24(29)26-13-23-18(3)27-28(19(23)4)14-20-8-6-5-7-9-20/h5-11,15H,12-14H2,1-4H3,(H,26,29).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 8944117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).