2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol

C14H16N2O2 — CID 63976111

IUPAC2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H16N2O2/c1-2-16-12(5-7-15-16)14(17)11-3-4-13-10(9-11)6-8-18-13/h3-5,7,9,14,17H,2,6,8H2,1H3
InChIKeyZCHYMYCGGRNPIQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.92
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol

2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol (PubChem CID 63976111) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
PubChem CID63976111
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H16N2O2/c1-2-16-12(5-7-15-16)14(17)11-3-4-13-10(9-11)6-8-18-13/h3-5,7,9,14,17H,2,6,8H2,1H3
InChIKeyZCHYMYCGGRNPIQ-UHFFFAOYSA-N
XLogP1.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanol
CID 63975266
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 104542185
(6-bromonaphthalen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 115798794
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
(3-ethylphenyl)-(2-ethylpyrazol-3-yl)methanol
CID 114556807
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
1-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 105180098
2,3-dihydro-1-benzofuran-5-yl-(3-propylphenyl)methanol
CID 116542515
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol (CID 63976111) is 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is ZCHYMYCGGRNPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-16-12(5-7-15-16)14(17)11-3-4-13-10(9-11)6-8-18-13/h3-5,7,9,14,17H,2,6,8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 244.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 63976111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).