3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine

C15H18BrN3O — CID 84610625

IUPAC3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCOc1ccccc1-c1n[nH]c(C2CCCNC2)c1Br
InChIInChI=1S/C15H18BrN3O/c1-20-12-7-3-2-6-11(12)15-13(16)14(18-19-15)10-5-4-8-17-9-10/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyXAMIRLNPCIGMQM-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.31
Rot. Bonds3

About 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine

3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 84610625) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID84610625
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCOc1ccccc1-c1n[nH]c(C2CCCNC2)c1Br
InChIInChI=1S/C15H18BrN3O/c1-20-12-7-3-2-6-11(12)15-13(16)14(18-19-15)10-5-4-8-17-9-10/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyXAMIRLNPCIGMQM-UHFFFAOYSA-N
XLogP3.31
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine
CID 95816648
3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604305
2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82044862
2-(2-methoxyphenyl)-4-pyrrolidin-3-yl-1,3-oxazole
CID 115045278
2-[(2-methoxyphenyl)methyl]-5-[(3R)-piperidin-3-yl]pyrazine
CID 95825460
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine
CID 84611529
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 25227433
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
CID 116888718

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine (CID 84610625) is 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine is COc1ccccc1-c1n[nH]c(C2CCCNC2)c1Br.
What is the InChIKey of 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is XAMIRLNPCIGMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-12-7-3-2-6-11(12)15-13(16)14(18-19-15)10-5-4-8-17-9-10/h2-3,6-7,10,17H,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine?
3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 336.23 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 84610625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).