(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone

C16H16N2O2 — CID 105132100

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCCn1nc(C)cc1C(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C16H16N2O2/c1-4-18-13(8-11(3)17-18)15(19)14-9-12-7-5-6-10(2)16(12)20-14/h5-9H,4H2,1-3H3
InChIKeyIVKCZZHKIAZEBH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.50
Rot. Bonds3

About (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone

(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone (PubChem CID 105132100) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone
PubChem CID105132100
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone
SMILESCCn1nc(C)cc1C(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C16H16N2O2/c1-4-18-13(8-11(3)17-18)15(19)14-9-12-7-5-6-10(2)16(12)20-14/h5-9H,4H2,1-3H3
InChIKeyIVKCZZHKIAZEBH-UHFFFAOYSA-N
XLogP3.50
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone (CID 105132100) is (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone is CCn1nc(C)cc1C(=O)c1cc2cccc(C)c2o1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is IVKCZZHKIAZEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-18-13(8-11(3)17-18)15(19)14-9-12-7-5-6-10(2)16(12)20-14/h5-9H,4H2,1-3H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone?
(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105132100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).