4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole

C14H16N2O — CID 162625614

IUPAC4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole
SMILESCCn1ncc(-c2cccc3c2OCC3)c1C
InChIInChI=1S/C14H16N2O/c1-3-16-10(2)13(9-15-16)12-6-4-5-11-7-8-17-14(11)12/h4-6,9H,3,7-8H2,1-2H3
InChIKeyDXCRJSUHMGIXTN-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.81
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole

4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole (PubChem CID 162625614) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole
PubChem CID162625614
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole
SMILESCCn1ncc(-c2cccc3c2OCC3)c1C
InChIInChI=1S/C14H16N2O/c1-3-16-10(2)13(9-15-16)12-6-4-5-11-7-8-17-14(11)12/h4-6,9H,3,7-8H2,1-2H3
InChIKeyDXCRJSUHMGIXTN-UHFFFAOYSA-N
XLogP2.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
3-(1-ethyl-5-methylpyrazol-4-yl)-2-methylaniline
CID 107627213
8-(2,3-dihydro-1-benzofuran-7-yl)-2-methylquinazoline
CID 145234099
2-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099113
4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine
CID 117330819
N-[2,3-dihydro-1-benzofuran-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105189441
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
CID 114746594
N-[[5-(2,3-dihydro-1-benzofuran-7-yl)-3-pyridinyl]methyl]ethanamine
CID 114746531
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole
CID 162634053
7-(5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran
CID 173176078

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole (CID 162625614) is 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole is CCn1ncc(-c2cccc3c2OCC3)c1C.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole?
The InChIKey is DXCRJSUHMGIXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-16-10(2)13(9-15-16)12-6-4-5-11-7-8-17-14(11)12/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole?
4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole has a molecular weight of 228.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-yl)-1-ethyl-5-methylpyrazole is sourced from PubChem (CID 162625614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).