4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine

C9H13BrFN3 — CID 114667670

IUPAC4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine
SMILESCn1ncc(Br)c1C1(F)CCNCC1
InChIInChI=1S/C9H13BrFN3/c1-14-8(7(10)6-13-14)9(11)2-4-12-5-3-9/h6,12H,2-5H2,1H3
InChIKeyYSWVLXVIPUJCMG-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.73
Rot. Bonds1

About 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine

4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine (PubChem CID 114667670) has the molecular formula C9H13BrFN3 and a molecular weight of 262.13 g/mol. Its IUPAC name is 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine
PubChem CID114667670
Molecular FormulaC9H13BrFN3
Molecular Weight262.13 g/mol
Exact Mass261.03
IUPAC Name4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine
SMILESCn1ncc(Br)c1C1(F)CCNCC1
InChIInChI=1S/C9H13BrFN3/c1-14-8(7(10)6-13-14)9(11)2-4-12-5-3-9/h6,12H,2-5H2,1H3
InChIKeyYSWVLXVIPUJCMG-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
CID 114667654
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
CID 114656505
4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine
CID 112563242
4-bromo-1-methyl-5-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrazole
CID 125425806
5-(3-fluoropyrrolidin-3-yl)-1-methyltriazole
CID 114691723
3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol
CID 114637212
4-bromo-1,5-dimethylpyrazole;ethane
CID 156642673
1-(4-bromo-1-methylpyrazol-5-yl)pyrrole-2,5-dione
CID 2808845
1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol
CID 114636063
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine?
The IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine (CID 114667670) is 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine.
What is the SMILES notation for 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine?
The canonical SMILES for 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine is Cn1ncc(Br)c1C1(F)CCNCC1.
What is the InChIKey of 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine?
The InChIKey is YSWVLXVIPUJCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrFN3/c1-14-8(7(10)6-13-14)9(11)2-4-12-5-3-9/h6,12H,2-5H2,1H3.
What are the key properties of 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine?
4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine has a molecular weight of 262.13 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine is sourced from PubChem (CID 114667670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).