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

C16H20BrN3 — CID 84610059

IUPAC4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine
SMILESCc1c(-c2ccc(Br)cc2)c(C2CCNCC2)nn1C
InChIInChI=1S/C16H20BrN3/c1-11-15(12-3-5-14(17)6-4-12)16(19-20(11)2)13-7-9-18-10-8-13/h3-6,13,18H,7-10H2,1-2H3
InChIKeyFRGRJNAFJTXOMC-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.63
Rot. Bonds2

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

4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine (PubChem CID 84610059) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine
PubChem CID84610059
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine
SMILESCc1c(-c2ccc(Br)cc2)c(C2CCNCC2)nn1C
InChIInChI=1S/C16H20BrN3/c1-11-15(12-3-5-14(17)6-4-12)16(19-20(11)2)13-7-9-18-10-8-13/h3-6,13,18H,7-10H2,1-2H3
InChIKeyFRGRJNAFJTXOMC-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1,2-dimethyl-3-piperidin-4-ylindole
CID 82278169
4-(1,5-dimethylimidazol-4-yl)piperidine
CID 84657143
4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558190
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
CID 66509747
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
CID 71298711
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
CID 66509746
1-methyl-4-(4-methylphenyl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62907594
1,4,6-trimethyl-3-piperidin-4-ylindazole;hydrochloride
CID 134494420
4-[2-(4-bromophenyl)imidazol-1-yl]piperidine
CID 82559669
4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
CID 84604265
1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
CID 96599519

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine?
The IUPAC name of 4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine (CID 84610059) is 4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine?
The canonical SMILES for 4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine is Cc1c(-c2ccc(Br)cc2)c(C2CCNCC2)nn1C.
What is the InChIKey of 4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine?
The InChIKey is FRGRJNAFJTXOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-11-15(12-3-5-14(17)6-4-12)16(19-20(11)2)13-7-9-18-10-8-13/h3-6,13,18H,7-10H2,1-2H3.
What are the key properties of 4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine?
4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine has a molecular weight of 334.26 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)-1,5-dimethylpyrazol-3-yl]piperidine is sourced from PubChem (CID 84610059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).