5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol

C9H14BrN3O — CID 117232052

IUPAC5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol
SMILESCN1CCCC(n2ncc(O)c2Br)C1
InChIInChI=1S/C9H14BrN3O/c1-12-4-2-3-7(6-12)13-9(10)8(14)5-11-13/h5,7,14H,2-4,6H2,1H3
InChIKeyNMFRXOUQAUNNHJ-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.62
Rot. Bonds1

About 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol

5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol (PubChem CID 117232052) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol.

Molecular Properties

Compound Name5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol
PubChem CID117232052
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol
SMILESCN1CCCC(n2ncc(O)c2Br)C1
InChIInChI=1S/C9H14BrN3O/c1-12-4-2-3-7(6-12)13-9(10)8(14)5-11-13/h5,7,14H,2-4,6H2,1H3
InChIKeyNMFRXOUQAUNNHJ-UHFFFAOYSA-N
XLogP1.62
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol?
The IUPAC name of 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol (CID 117232052) is 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol.
What is the SMILES notation for 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol?
The canonical SMILES for 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol is CN1CCCC(n2ncc(O)c2Br)C1.
What is the InChIKey of 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol?
The InChIKey is NMFRXOUQAUNNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-12-4-2-3-7(6-12)13-9(10)8(14)5-11-13/h5,7,14H,2-4,6H2,1H3.
What are the key properties of 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol?
5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol has a molecular weight of 260.13 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(1-methylpiperidin-3-yl)pyrazol-4-ol is sourced from PubChem (CID 117232052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).