[4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane

C11H20BrN3O — CID 169136353

IUPAC[4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane
SMILESCC.OCC1(n2cc(Br)cn2)CCNCC1
InChIInChI=1S/C9H14BrN3O.C2H6/c10-8-5-12-13(6-8)9(7-14)1-3-11-4-2-9;1-2/h5-6,11,14H,1-4,7H2;1-2H3
InChIKeyZVTIUQLUQFVQEA-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.74
Rot. Bonds2

About [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane

[4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane (PubChem CID 169136353) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane.

Molecular Properties

Compound Name[4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane
PubChem CID169136353
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name[4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane
SMILESCC.OCC1(n2cc(Br)cn2)CCNCC1
InChIInChI=1S/C9H14BrN3O.C2H6/c10-8-5-12-13(6-8)9(7-14)1-3-11-4-2-9;1-2/h5-6,11,14H,1-4,7H2;1-2H3
InChIKeyZVTIUQLUQFVQEA-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane?
The IUPAC name of [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane (CID 169136353) is [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane.
What is the SMILES notation for [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane?
The canonical SMILES for [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane is CC.OCC1(n2cc(Br)cn2)CCNCC1.
What is the InChIKey of [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane?
The InChIKey is ZVTIUQLUQFVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O.C2H6/c10-8-5-12-13(6-8)9(7-14)1-3-11-4-2-9;1-2/h5-6,11,14H,1-4,7H2;1-2H3.
What are the key properties of [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane?
[4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane has a molecular weight of 290.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromopyrazol-1-yl)piperidin-4-yl]methanol;ethane is sourced from PubChem (CID 169136353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).