4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole

C16H20N2O2 — CID 86792227

IUPAC4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H20N2O2/c1-11-16(12(2)18(3)17-11)20-8-6-13-4-5-15-14(10-13)7-9-19-15/h4-5,10H,6-9H2,1-3H3
InChIKeyACDCNFLERZYPKY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.59
Rot. Bonds4

About 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole

4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole (PubChem CID 86792227) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole
PubChem CID86792227
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1OCCc1ccc2c(c1)CCO2
InChIInChI=1S/C16H20N2O2/c1-11-16(12(2)18(3)17-11)20-8-6-13-4-5-15-14(10-13)7-9-19-15/h4-5,10H,6-9H2,1-3H3
InChIKeyACDCNFLERZYPKY-UHFFFAOYSA-N
XLogP2.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
5-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-6-methylpyrimidin-4-one
CID 66311095
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
4-(1-chloroethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethylpyrazole
CID 65444431
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]imidazole
CID 65446900
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-iodo-4-methylpyrazole
CID 79787089
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520
(2R,3S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 128973879
5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65447152
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
CID 115952093

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole (CID 86792227) is 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1OCCc1ccc2c(c1)CCO2.
What is the InChIKey of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole?
The InChIKey is ACDCNFLERZYPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-16(12(2)18(3)17-11)20-8-6-13-4-5-15-14(10-13)7-9-19-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole?
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole has a molecular weight of 272.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-1,3,5-trimethylpyrazole is sourced from PubChem (CID 86792227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).