1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol

C12H16N2O2 — CID 105122915

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1ccco1
InChIInChI=1S/C12H16N2O2/c1-3-14-11(7-9(2)13-14)12(15)8-10-5-4-6-16-10/h4-7,12,15H,3,8H2,1-2H3
InChIKeyFZSALYYAGQWRSF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.08
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol (PubChem CID 105122915) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
PubChem CID105122915
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1ccco1
InChIInChI=1S/C12H16N2O2/c1-3-14-11(7-9(2)13-14)12(15)8-10-5-4-6-16-10/h4-7,12,15H,3,8H2,1-2H3
InChIKeyFZSALYYAGQWRSF-UHFFFAOYSA-N
XLogP2.08
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol (CID 105122915) is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol is CCn1nc(C)cc1C(O)Cc1ccco1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol?
The InChIKey is FZSALYYAGQWRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-14-11(7-9(2)13-14)12(15)8-10-5-4-6-16-10/h4-7,12,15H,3,8H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol?
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol has a molecular weight of 220.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-2-yl)ethanol is sourced from PubChem (CID 105122915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).