ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol

C11H22N2O2 — CID 170573597

IUPACethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol
SMILESCC.COc1nn(CCO)cc1C(C)C
InChIInChI=1S/C9H16N2O2.C2H6/c1-7(2)8-6-11(4-5-12)10-9(8)13-3;1-2/h6-7,12H,4-5H2,1-3H3;1-2H3
InChIKeyPBJFKAIXMUAUPT-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.03
Rot. Bonds4

About ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol

ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol (PubChem CID 170573597) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Nameethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol
PubChem CID170573597
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol
SMILESCC.COc1nn(CCO)cc1C(C)C
InChIInChI=1S/C9H16N2O2.C2H6/c1-7(2)8-6-11(4-5-12)10-9(8)13-3;1-2/h6-7,12H,4-5H2,1-3H3;1-2H3
InChIKeyPBJFKAIXMUAUPT-UHFFFAOYSA-N
XLogP2.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol?
The IUPAC name of ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol (CID 170573597) is ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol?
The canonical SMILES for ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol is CC.COc1nn(CCO)cc1C(C)C.
What is the InChIKey of ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol?
The InChIKey is PBJFKAIXMUAUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.C2H6/c1-7(2)8-6-11(4-5-12)10-9(8)13-3;1-2/h6-7,12H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol?
ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol has a molecular weight of 214.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 170573597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).