N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

C25H23ClN4O3 — CID 25004111

IUPACN-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCCC2=O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12
InChIInChI=1S/C25H23ClN4O3/c1-16-10-22(27-23(31)15-29-9-5-8-24(29)32)28-30(16)14-19-12-20(26)11-18-13-21(33-25(18)19)17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,27,28,31)
InChIKeyURLMWQRNSLSNEJ-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.87
Rot. Bonds6

About N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 25004111) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID25004111
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC NameN-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCCC2=O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12
InChIInChI=1S/C25H23ClN4O3/c1-16-10-22(27-23(31)15-29-9-5-8-24(29)32)28-30(16)14-19-12-20(26)11-18-13-21(33-25(18)19)17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,27,28,31)
InChIKeyURLMWQRNSLSNEJ-UHFFFAOYSA-N
XLogP4.87
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 25004111) is N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is Cc1cc(NC(=O)CN2CCCC2=O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12.
What is the InChIKey of N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is URLMWQRNSLSNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-16-10-22(27-23(31)15-29-9-5-8-24(29)32)28-30(16)14-19-12-20(26)11-18-13-21(33-25(18)19)17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14-15H2,1H3,(H,27,28,31).
What are the key properties of N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 462.94 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazol-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 25004111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).