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

C12H22N4O — CID 43553955

IUPAC2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol
SMILESCc1nn(C)c(N2CCCCC2CCO)c1N
InChIInChI=1S/C12H22N4O/c1-9-11(13)12(15(2)14-9)16-7-4-3-5-10(16)6-8-17/h10,17H,3-8,13H2,1-2H3
InChIKeyWQUBACPRRNCWCS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.05
Rot. Bonds3

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

2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol (PubChem CID 43553955) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol
PubChem CID43553955
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol
SMILESCc1nn(C)c(N2CCCCC2CCO)c1N
InChIInChI=1S/C12H22N4O/c1-9-11(13)12(15(2)14-9)16-7-4-3-5-10(16)6-8-17/h10,17H,3-8,13H2,1-2H3
InChIKeyWQUBACPRRNCWCS-UHFFFAOYSA-N
XLogP1.05
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol (CID 43553955) is 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol is Cc1nn(C)c(N2CCCCC2CCO)c1N.
What is the InChIKey of 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol?
The InChIKey is WQUBACPRRNCWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-11(13)12(15(2)14-9)16-7-4-3-5-10(16)6-8-17/h10,17H,3-8,13H2,1-2H3.
What are the key properties of 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol?
2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 43553955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).