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

C15H18BrN3 — CID 84604305

IUPAC3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1cccc(-c2n[nH]c(C3CCCNC3)c2Br)c1
InChIInChI=1S/C15H18BrN3/c1-10-4-2-5-11(8-10)14-13(16)15(19-18-14)12-6-3-7-17-9-12/h2,4-5,8,12,17H,3,6-7,9H2,1H3,(H,18,19)
InChIKeyQUERXMFQQUIUCY-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.61
Rot. Bonds2

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

3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 84604305) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID84604305
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
SMILESCc1cccc(-c2n[nH]c(C3CCCNC3)c2Br)c1
InChIInChI=1S/C15H18BrN3/c1-10-4-2-5-11(8-10)14-13(16)15(19-18-14)12-6-3-7-17-9-12/h2,4-5,8,12,17H,3,6-7,9H2,1H3,(H,18,19)
InChIKeyQUERXMFQQUIUCY-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

4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604286
3-[4-bromo-3-(2-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 84610625
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine
CID 118760474
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 124858934
3-(2,4-dimethylphenyl)piperidine
CID 10535662
4-bromo-1-methyl-3-(3-methylphenyl)-5-pyrrolidin-2-ylpyrazole
CID 84604273
2-methyl-5-piperidin-3-ylpyrazine
CID 82599606
4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
CID 46884596
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
3-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651037

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine (CID 84604305) is 3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine is Cc1cccc(-c2n[nH]c(C3CCCNC3)c2Br)c1.
What is the InChIKey of 3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is QUERXMFQQUIUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-4-2-5-11(8-10)14-13(16)15(19-18-14)12-6-3-7-17-9-12/h2,4-5,8,12,17H,3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine?
3-[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 3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 84604305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).