3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine

C15H18BrN3 — CID 84604219

IUPAC3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
SMILESCc1c(-c2ccc(Br)cc2)cnn1C1CCCNC1
InChIInChI=1S/C15H18BrN3/c1-11-15(12-4-6-13(16)7-5-12)10-18-19(11)14-3-2-8-17-9-14/h4-7,10,14,17H,2-3,8-9H2,1H3
InChIKeyKQHNPQIMDKHXMU-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.55
Rot. Bonds2

About 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine

3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine (PubChem CID 84604219) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
PubChem CID84604219
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
SMILESCc1c(-c2ccc(Br)cc2)cnn1C1CCCNC1
InChIInChI=1S/C15H18BrN3/c1-11-15(12-4-6-13(16)7-5-12)10-18-19(11)14-3-2-8-17-9-14/h4-7,10,14,17H,2-3,8-9H2,1H3
InChIKeyKQHNPQIMDKHXMU-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(4-bromophenyl)triazol-1-yl]piperidine
CID 165488289
3-(4-bromo-5-chloropyrazol-1-yl)piperidine
CID 83672051
(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 140765908
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine
CID 84609986
3-(5-ethylpyrazol-1-yl)piperidine
CID 84768027
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
tert-butyl formate;(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine
CID 174819152
3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine
CID 84801407
4-(4-fluorophenoxy)-5-methyl-1-pyrrolidin-3-ylpyrazole
CID 115055509
3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
CID 115053824
1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine?
The IUPAC name of 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine (CID 84604219) is 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine.
What is the SMILES notation for 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine?
The canonical SMILES for 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine is Cc1c(-c2ccc(Br)cc2)cnn1C1CCCNC1.
What is the InChIKey of 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine?
The InChIKey is KQHNPQIMDKHXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-15(12-4-6-13(16)7-5-12)10-18-19(11)14-3-2-8-17-9-14/h4-7,10,14,17H,2-3,8-9H2,1H3.
What are the key properties of 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine?
3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine has a molecular weight of 320.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine is sourced from PubChem (CID 84604219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).