2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol

C14H16N2O2 — CID 113425039

IUPAC2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)cc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H16N2O2/c1-9-12(8-16(2)15-9)14(17)11-3-4-13-10(7-11)5-6-18-13/h3-4,7-8,14,17H,5-6H2,1-2H3
InChIKeyYBZUTXWIRPEVIN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.75
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol

2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 113425039) 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-(1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol
PubChem CID113425039
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)cc1C(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H16N2O2/c1-9-12(8-16(2)15-9)14(17)11-3-4-13-10(7-11)5-6-18-13/h3-4,7-8,14,17H,5-6H2,1-2H3
InChIKeyYBZUTXWIRPEVIN-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 104542185
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,3-dimethylpyrazol-4-yl)propan-1-amine
CID 102803817
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 83090741
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
(4-tert-butylphenyl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 83092098
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol (CID 113425039) is 2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol is Cc1nn(C)cc1C(O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is YBZUTXWIRPEVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-12(8-16(2)15-9)14(17)11-3-4-13-10(7-11)5-6-18-13/h3-4,7-8,14,17H,5-6H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 244.29 g/mol, XLogP of 1.75, 2 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-(1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 113425039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).