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

C16H20BrN3 — CID 84609986

IUPAC3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine
SMILESCc1c(-c2cccc(Br)c2)cnn1CC1CCCNC1
InChIInChI=1S/C16H20BrN3/c1-12-16(14-5-2-6-15(17)8-14)10-19-20(12)11-13-4-3-7-18-9-13/h2,5-6,8,10,13,18H,3-4,7,9,11H2,1H3
InChIKeyFQVSIWCGAYZMEV-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.62
Rot. Bonds3

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

3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine (PubChem CID 84609986) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine
PubChem CID84609986
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine
SMILESCc1c(-c2cccc(Br)c2)cnn1CC1CCCNC1
InChIInChI=1S/C16H20BrN3/c1-12-16(14-5-2-6-15(17)8-14)10-19-20(12)11-13-4-3-7-18-9-13/h2,5-6,8,10,13,18H,3-4,7,9,11H2,1H3
InChIKeyFQVSIWCGAYZMEV-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-phenyltriazol-1-yl)methyl]piperidine
CID 115044790
3-[5-(3-bromophenyl)-1-methylimidazol-2-yl]piperidine
CID 84604162
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
CID 84604219
6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 178046830
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
CID 121210532
2-(3-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 82151111
5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one
CID 114395972
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine?
The IUPAC name of 3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine (CID 84609986) is 3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine is Cc1c(-c2cccc(Br)c2)cnn1CC1CCCNC1.
What is the InChIKey of 3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine?
The InChIKey is FQVSIWCGAYZMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12-16(14-5-2-6-15(17)8-14)10-19-20(12)11-13-4-3-7-18-9-13/h2,5-6,8,10,13,18H,3-4,7,9,11H2,1H3.
What are the key properties of 3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine?
3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine has a molecular weight of 334.26 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 84609986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).