3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine

C15H17BrFN3 — CID 84611529

IUPAC3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine
SMILESCn1nc(-c2ccccc2F)c(Br)c1C1CCCNC1
InChIInChI=1S/C15H17BrFN3/c1-20-15(10-5-4-8-18-9-10)13(16)14(19-20)11-6-2-3-7-12(11)17/h2-3,6-7,10,18H,4-5,8-9H2,1H3
InChIKeyKPRAJJDKHZNELM-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.46
Rot. Bonds2

About 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine

3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine (PubChem CID 84611529) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine.

Molecular Properties

Compound Name3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine
PubChem CID84611529
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine
SMILESCn1nc(-c2ccccc2F)c(Br)c1C1CCCNC1
InChIInChI=1S/C15H17BrFN3/c1-20-15(10-5-4-8-18-9-10)13(16)14(19-20)11-6-2-3-7-12(11)17/h2-3,6-7,10,18H,4-5,8-9H2,1H3
InChIKeyKPRAJJDKHZNELM-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 95816643
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517
3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine
CID 84608514
3-bromo-7-fluoro-2-piperidin-3-yl-1H-indole
CID 84644364
3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 84610625
7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole
CID 84632385
3-[4-fluoro-3-(2-fluorophenyl)phenyl]pyrrolidine
CID 117401616
7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 110262123
3-(2-fluorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine
CID 84647313
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
CID 116888718
3-bromo-2-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 67438227

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine?
The IUPAC name of 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine (CID 84611529) is 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine.
What is the SMILES notation for 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine?
The canonical SMILES for 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine is Cn1nc(-c2ccccc2F)c(Br)c1C1CCCNC1.
What is the InChIKey of 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine?
The InChIKey is KPRAJJDKHZNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-20-15(10-5-4-8-18-9-10)13(16)14(19-20)11-6-2-3-7-12(11)17/h2-3,6-7,10,18H,4-5,8-9H2,1H3.
What are the key properties of 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine?
3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine has a molecular weight of 338.22 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine is sourced from PubChem (CID 84611529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).