N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide

C19H23N3O2 — CID 119071114

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)N(C)CCc3c(C)n[nH]c3C)coc2c1
InChIInChI=1S/C19H23N3O2/c1-12-5-6-17-15(11-24-18(17)9-12)10-19(23)22(4)8-7-16-13(2)20-21-14(16)3/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyXNJFCPHGDKKQBD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide (PubChem CID 119071114) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide
PubChem CID119071114
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)N(C)CCc3c(C)n[nH]c3C)coc2c1
InChIInChI=1S/C19H23N3O2/c1-12-5-6-17-15(11-24-18(17)9-12)10-19(23)22(4)8-7-16-13(2)20-21-14(16)3/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21)
InChIKeyXNJFCPHGDKKQBD-UHFFFAOYSA-N
XLogP3.32
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide (CID 119071114) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)N(C)CCc3c(C)n[nH]c3C)coc2c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide?
The InChIKey is XNJFCPHGDKKQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-5-6-17-15(11-24-18(17)9-12)10-19(23)22(4)8-7-16-13(2)20-21-14(16)3/h5-6,9,11H,7-8,10H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(6-methyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 119071114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).