3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol

C9H14BrN3O — CID 114633976

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
SMILESCn1ncc(Br)c1C1(O)CCCNC1
InChIInChI=1S/C9H14BrN3O/c1-13-8(7(10)5-12-13)9(14)3-2-4-11-6-9/h5,11,14H,2-4,6H2,1H3
InChIKeyKRBKAYACBYAGRR-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.75
Rot. Bonds1

About 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol

3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol (PubChem CID 114633976) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
PubChem CID114633976
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
SMILESCn1ncc(Br)c1C1(O)CCCNC1
InChIInChI=1S/C9H14BrN3O/c1-13-8(7(10)5-12-13)9(14)3-2-4-11-6-9/h5,11,14H,2-4,6H2,1H3
InChIKeyKRBKAYACBYAGRR-UHFFFAOYSA-N
XLogP0.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
CID 114667654
3-(5-bromo-3-methyltriazol-4-yl)piperidin-3-ol
CID 106461103
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine
CID 114667670
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol
CID 114637212
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
CID 114656505
1-(4-bromo-1-methylpyrazol-5-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114637955
4-(1-methylpyrazol-4-yl)azepan-4-ol
CID 126973104
4-(4-bromo-1-methylpyrazol-5-yl)-1,1-dioxo-2,3-dihydrothiochromen-4-ol
CID 114637424

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol (CID 114633976) is 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol is Cn1ncc(Br)c1C1(O)CCCNC1.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol?
The InChIKey is KRBKAYACBYAGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-13-8(7(10)5-12-13)9(14)3-2-4-11-6-9/h5,11,14H,2-4,6H2,1H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol?
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol has a molecular weight of 260.13 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 114633976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).