N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

C22H21N3O2 — CID 17395817

IUPACN-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccnn3Cc3ccccc3)c2cc1C
InChIInChI=1S/C22H21N3O2/c1-15-10-19-18(14-27-20(19)11-16(15)2)12-22(26)24-21-8-9-23-25(21)13-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,24,26)
InChIKeyQHKKRDMOOAHFAQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.48
Rot. Bonds5

About N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 17395817) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID17395817
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccnn3Cc3ccccc3)c2cc1C
InChIInChI=1S/C22H21N3O2/c1-15-10-19-18(14-27-20(19)11-16(15)2)12-22(26)24-21-8-9-23-25(21)13-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,24,26)
InChIKeyQHKKRDMOOAHFAQ-UHFFFAOYSA-N
XLogP4.48
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(6-ethyl-1-benzofuran-3-yl)acetamide
CID 16560070
N-(2-benzylpyrazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 17467956
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-phenylphenyl)acetamide
CID 16546100
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 112765141
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 112761506
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18284203
N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 39911481

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 17395817) is N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)Nc3ccnn3Cc3ccccc3)c2cc1C.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is QHKKRDMOOAHFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-10-19-18(14-27-20(19)11-16(15)2)12-22(26)24-21-8-9-23-25(21)13-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 359.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 17395817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).