2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol

C12H14N2O2S — CID 121214679

IUPAC2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol
SMILESOCCn1nc(-c2ccsc2)c2c1CCOC2
InChIInChI=1S/C12H14N2O2S/c15-4-3-14-11-1-5-16-7-10(11)12(13-14)9-2-6-17-8-9/h2,6,8,15H,1,3-5,7H2
InChIKeyFEBHZLAXGZDJQI-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.68
Rot. Bonds3

About 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol

2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol (PubChem CID 121214679) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol
PubChem CID121214679
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol
SMILESOCCn1nc(-c2ccsc2)c2c1CCOC2
InChIInChI=1S/C12H14N2O2S/c15-4-3-14-11-1-5-16-7-10(11)12(13-14)9-2-6-17-8-9/h2,6,8,15H,1,3-5,7H2
InChIKeyFEBHZLAXGZDJQI-UHFFFAOYSA-N
XLogP1.68
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol?
The IUPAC name of 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol (CID 121214679) is 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol?
The canonical SMILES for 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol is OCCn1nc(-c2ccsc2)c2c1CCOC2.
What is the InChIKey of 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol?
The InChIKey is FEBHZLAXGZDJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-4-3-14-11-1-5-16-7-10(11)12(13-14)9-2-6-17-8-9/h2,6,8,15H,1,3-5,7H2.
What are the key properties of 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol?
2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol has a molecular weight of 250.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-thiophen-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl)ethanol is sourced from PubChem (CID 121214679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).