4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine

C12H20BrN3 — CID 168945368

IUPAC4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine
SMILESCc1nn(C2CCN(C)C(C)(C)C2)cc1Br
InChIInChI=1S/C12H20BrN3/c1-9-11(13)8-16(14-9)10-5-6-15(4)12(2,3)7-10/h8,10H,5-7H2,1-4H3
InChIKeyNBEXHQCKVJYSKT-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.00
Rot. Bonds1

About 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine

4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine (PubChem CID 168945368) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine
PubChem CID168945368
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine
SMILESCc1nn(C2CCN(C)C(C)(C)C2)cc1Br
InChIInChI=1S/C12H20BrN3/c1-9-11(13)8-16(14-9)10-5-6-15(4)12(2,3)7-10/h8,10H,5-7H2,1-4H3
InChIKeyNBEXHQCKVJYSKT-UHFFFAOYSA-N
XLogP3.00
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine?
The IUPAC name of 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine (CID 168945368) is 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine.
What is the SMILES notation for 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine?
The canonical SMILES for 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine is Cc1nn(C2CCN(C)C(C)(C)C2)cc1Br.
What is the InChIKey of 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine?
The InChIKey is NBEXHQCKVJYSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-9-11(13)8-16(14-9)10-5-6-15(4)12(2,3)7-10/h8,10H,5-7H2,1-4H3.
What are the key properties of 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine?
4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine has a molecular weight of 286.22 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylpyrazol-1-yl)-1,2,2-trimethylpiperidine is sourced from PubChem (CID 168945368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).