2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol

C11H20N2O2 — CID 75505877

IUPAC2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCCOCCn1nc(C)c(CCO)c1C
InChIInChI=1S/C11H20N2O2/c1-4-15-8-6-13-10(3)11(5-7-14)9(2)12-13/h14H,4-8H2,1-3H3
InChIKeyPWYLIAYMLHCJIR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.07
Rot. Bonds6

About 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol

2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 75505877) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID75505877
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCCOCCn1nc(C)c(CCO)c1C
InChIInChI=1S/C11H20N2O2/c1-4-15-8-6-13-10(3)11(5-7-14)9(2)12-13/h14H,4-8H2,1-3H3
InChIKeyPWYLIAYMLHCJIR-UHFFFAOYSA-N
XLogP1.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol (CID 75505877) is 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol is CCOCCn1nc(C)c(CCO)c1C.
What is the InChIKey of 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is PWYLIAYMLHCJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-15-8-6-13-10(3)11(5-7-14)9(2)12-13/h14H,4-8H2,1-3H3.
What are the key properties of 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 212.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 75505877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).