2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol

C16H20N2O2 — CID 79584379

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(C(O)CC2OCCc3ccccc32)cnn1C
InChIInChI=1S/C16H20N2O2/c1-11-14(10-17-18(11)2)15(19)9-16-13-6-4-3-5-12(13)7-8-20-16/h3-6,10,15-16,19H,7-9H2,1-2H3
InChIKeyGWZLEHSRUQSKNT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.47
Rot. Bonds3

About 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol

2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol (PubChem CID 79584379) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol
PubChem CID79584379
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(C(O)CC2OCCc3ccccc32)cnn1C
InChIInChI=1S/C16H20N2O2/c1-11-14(10-17-18(11)2)15(19)9-16-13-6-4-3-5-12(13)7-8-20-16/h3-6,10,15-16,19H,7-9H2,1-2H3
InChIKeyGWZLEHSRUQSKNT-UHFFFAOYSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol (CID 79584379) is 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol is Cc1c(C(O)CC2OCCc3ccccc32)cnn1C.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The InChIKey is GWZLEHSRUQSKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-14(10-17-18(11)2)15(19)9-16-13-6-4-3-5-12(13)7-8-20-16/h3-6,10,15-16,19H,7-9H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol?
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-1-(1,5-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 79584379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).