4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine

C16H20BrN3 — CID 84609955

IUPAC4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine
SMILESCc1nn(CC2CCNCC2)cc1-c1ccccc1Br
InChIInChI=1S/C16H20BrN3/c1-12-15(14-4-2-3-5-16(14)17)11-20(19-12)10-13-6-8-18-9-7-13/h2-5,11,13,18H,6-10H2,1H3
InChIKeyRGVHKLTXNLBHSE-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.62
Rot. Bonds3

About 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine

4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine (PubChem CID 84609955) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine
PubChem CID84609955
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine
SMILESCc1nn(CC2CCNCC2)cc1-c1ccccc1Br
InChIInChI=1S/C16H20BrN3/c1-12-15(14-4-2-3-5-16(14)17)11-20(19-12)10-13-6-8-18-9-7-13/h2-5,11,13,18H,6-10H2,1H3
InChIKeyRGVHKLTXNLBHSE-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

5-bromo-2-(piperidin-4-ylmethyl)indazole
CID 84815226
7-bromo-3-methyl-1-piperidin-4-ylindazole
CID 84815234
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CID 120849603
3-methyl-1-(2-piperidin-4-ylethyl)indazole
CID 82513483
3-bromo-5-methyl-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 82105293
2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 115210021
8-methylsulfanyl-2-(piperidin-4-ylmethyl)pyrazolo[4,3-h]quinazoline
CID 141335519
2-bromo-1-(piperidin-4-ylmethyl)benzimidazole
CID 84815298
4-(2-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053950
2-(cyclopropylmethyl)-4-methylindazole
CID 165121236
2-bromo-5-(piperidin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]quinoline
CID 156632947
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine (CID 84609955) is 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine is Cc1nn(CC2CCNCC2)cc1-c1ccccc1Br.
What is the InChIKey of 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine?
The InChIKey is RGVHKLTXNLBHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-12-15(14-4-2-3-5-16(14)17)11-20(19-12)10-13-6-8-18-9-7-13/h2-5,11,13,18H,6-10H2,1H3.
What are the key properties of 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine?
4-[[4-(2-bromophenyl)-3-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 4-[[4-(2-bromophenyl)-3-methylpyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 84609955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).