2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol

C11H19N3O2 — CID 110254159

IUPAC2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCCCC1c1cc(CO)[nH]n1
InChIInChI=1S/C11H19N3O2/c15-6-5-14-4-2-1-3-11(14)10-7-9(8-16)12-13-10/h7,11,15-16H,1-6,8H2,(H,12,13)
InChIKeyMKSQCQSQIRDXMJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.42
Rot. Bonds4

About 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol

2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol (PubChem CID 110254159) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol
PubChem CID110254159
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCCCC1c1cc(CO)[nH]n1
InChIInChI=1S/C11H19N3O2/c15-6-5-14-4-2-1-3-11(14)10-7-9(8-16)12-13-10/h7,11,15-16H,1-6,8H2,(H,12,13)
InChIKeyMKSQCQSQIRDXMJ-UHFFFAOYSA-N
XLogP0.42
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2S)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol
CID 95841074
[3-[(2R)-1-cyclohexylpyrrolidin-2-yl]-1H-pyrazol-5-yl]methanol
CID 95841075
2-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]ethanol
CID 95842061
2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 95841214
[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95845828
2-[3-[(2S)-1-cyclopentylpyrrolidin-2-yl]-1H-pyrazol-5-yl]ethanol
CID 124968792
2-[4-[[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]phenyl]benzoic acid
CID 110097148
[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110271090
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 124978760
[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol
CID 95842997
(3-pyrrolidin-2-yl-1H-pyrazol-5-yl)methanol
CID 66509779
2-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethanol
CID 110269173

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol (CID 110254159) is 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol is OCCN1CCCCC1c1cc(CO)[nH]n1.
What is the InChIKey of 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol?
The InChIKey is MKSQCQSQIRDXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-6-5-14-4-2-1-3-11(14)10-7-9(8-16)12-13-10/h7,11,15-16H,1-6,8H2,(H,12,13).
What are the key properties of 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol?
2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 110254159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).