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

C15H18BrN3 — CID 84604286

IUPAC4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1cccc(-c2n[nH]c(C3CCNCC3)c2Br)c1
InChIInChI=1S/C15H18BrN3/c1-10-3-2-4-12(9-10)15-13(16)14(18-19-15)11-5-7-17-8-6-11/h2-4,9,11,17H,5-8H2,1H3,(H,18,19)
InChIKeyIOMDYIWRJFXWIM-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.61
Rot. Bonds2

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

4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 84604286) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID84604286
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1cccc(-c2n[nH]c(C3CCNCC3)c2Br)c1
InChIInChI=1S/C15H18BrN3/c1-10-3-2-4-12(9-10)15-13(16)14(18-19-15)11-5-7-17-8-6-11/h2-4,9,11,17H,5-8H2,1H3,(H,18,19)
InChIKeyIOMDYIWRJFXWIM-UHFFFAOYSA-N
XLogP3.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604305
4-bromo-3-(3-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 116862017
4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
CID 46884596
2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888733
3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 145249415
ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine
CID 91131367
2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine
CID 110244538
4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
6-bromo-3-piperidin-4-yl-2H-indazole
CID 14032607
4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole
CID 84604273

Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine (CID 84604286) is 4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine is Cc1cccc(-c2n[nH]c(C3CCNCC3)c2Br)c1.
What is the InChIKey of 4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is IOMDYIWRJFXWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-3-2-4-12(9-10)15-13(16)14(18-19-15)11-5-7-17-8-6-11/h2-4,9,11,17H,5-8H2,1H3,(H,18,19).
What are the key properties of 4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 320.23 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 84604286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).