3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine

C9H13BrFN3 — CID 114667654

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
SMILESCn1ncc(Br)c1C1(F)CCCNC1
InChIInChI=1S/C9H13BrFN3/c1-14-8(7(10)5-13-14)9(11)3-2-4-12-6-9/h5,12H,2-4,6H2,1H3
InChIKeyKATWECMYOSYVRM-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.73
Rot. Bonds1

About 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine

3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine (PubChem CID 114667654) has the molecular formula C9H13BrFN3 and a molecular weight of 262.13 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
PubChem CID114667654
Molecular FormulaC9H13BrFN3
Molecular Weight262.13 g/mol
Exact Mass261.03
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
SMILESCn1ncc(Br)c1C1(F)CCCNC1
InChIInChI=1S/C9H13BrFN3/c1-14-8(7(10)5-13-14)9(11)3-2-4-12-6-9/h5,12H,2-4,6H2,1H3
InChIKeyKATWECMYOSYVRM-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

4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine
CID 114667670
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
CID 114656505
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
3,3-bis(1-methyl-4-nitropyrazol-5-yl)azepane
CID 174732706
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
(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669176
3-(4-bromo-3-chloro-2-fluorophenyl)-3-fluoropiperidine
CID 106763885
(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669191
1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]
CID 96617702
3-fluoro-3-(2,4,5-trimethylphenyl)piperidine
CID 112562991

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine (CID 114667654) is 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine is Cn1ncc(Br)c1C1(F)CCCNC1.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine?
The InChIKey is KATWECMYOSYVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrFN3/c1-14-8(7(10)5-13-14)9(11)3-2-4-12-6-9/h5,12H,2-4,6H2,1H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine?
3-(4-bromo-1-methylpyrazol-5-yl)-3-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 3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine is sourced from PubChem (CID 114667654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).