2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol

C14H25N3O — CID 99841375

IUPAC2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(CCN2CCCCC2)c(C)c1CCO
InChIInChI=1S/C14H25N3O/c1-12-14(6-11-18)13(2)17(15-12)10-9-16-7-4-3-5-8-16/h18H,3-11H2,1-2H3
InChIKeyYZCWQDAVGNMKGM-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.52
Rot. Bonds5

About 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol

2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol (PubChem CID 99841375) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
PubChem CID99841375
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
SMILESCc1nn(CCN2CCCCC2)c(C)c1CCO
InChIInChI=1S/C14H25N3O/c1-12-14(6-11-18)13(2)17(15-12)10-9-16-7-4-3-5-8-16/h18H,3-11H2,1-2H3
InChIKeyYZCWQDAVGNMKGM-UHFFFAOYSA-N
XLogP1.52
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol (CID 99841375) is 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol is Cc1nn(CCN2CCCCC2)c(C)c1CCO.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol?
The InChIKey is YZCWQDAVGNMKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12-14(6-11-18)13(2)17(15-12)10-9-16-7-4-3-5-8-16/h18H,3-11H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol?
2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 99841375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).