1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol

C12H22N4O — CID 81096865

IUPAC1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol
SMILESCCc1nn(C)c(N2CCC(C)(O)CC2)c1N
InChIInChI=1S/C12H22N4O/c1-4-9-10(13)11(15(3)14-9)16-7-5-12(2,17)6-8-16/h17H,4-8,13H2,1-3H3
InChIKeyLUNMMOFENDHWGR-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.92
Rot. Bonds2

About 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol

1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol (PubChem CID 81096865) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol
PubChem CID81096865
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol
SMILESCCc1nn(C)c(N2CCC(C)(O)CC2)c1N
InChIInChI=1S/C12H22N4O/c1-4-9-10(13)11(15(3)14-9)16-7-5-12(2,17)6-8-16/h17H,4-8,13H2,1-3H3
InChIKeyLUNMMOFENDHWGR-UHFFFAOYSA-N
XLogP0.92
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol (CID 81096865) is 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol is CCc1nn(C)c(N2CCC(C)(O)CC2)c1N.
What is the InChIKey of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol?
The InChIKey is LUNMMOFENDHWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-9-10(13)11(15(3)14-9)16-7-5-12(2,17)6-8-16/h17H,4-8,13H2,1-3H3.
What are the key properties of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol?
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol has a molecular weight of 238.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81096865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).