N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C19H20N4O2 — CID 47785332

IUPACN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)n(CCC#N)n1
InChIInChI=1S/C19H20N4O2/c1-12-5-6-16-15(11-25-19(16)14(12)3)10-18(24)21-17-9-13(2)22-23(17)8-4-7-20/h5-6,9,11H,4,8,10H2,1-3H3,(H,21,24)
InChIKeyIKZKMMDAFOMIHC-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.65
Rot. Bonds5

About N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 47785332) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID47785332
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)n(CCC#N)n1
InChIInChI=1S/C19H20N4O2/c1-12-5-6-16-15(11-25-19(16)14(12)3)10-18(24)21-17-9-13(2)22-23(17)8-4-7-20/h5-6,9,11H,4,8,10H2,1-3H3,(H,21,24)
InChIKeyIKZKMMDAFOMIHC-UHFFFAOYSA-N
XLogP3.65
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771768
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617675
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 112761443
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 42989351
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 51096831
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 47785235
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 47785332) is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(NC(=O)Cc2coc3c(C)c(C)ccc23)n(CCC#N)n1.
What is the InChIKey of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is IKZKMMDAFOMIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-5-6-16-15(11-25-19(16)14(12)3)10-18(24)21-17-9-13(2)22-23(17)8-4-7-20/h5-6,9,11H,4,8,10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 47785332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).