4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine

C11H20BrN3 — CID 168945310

IUPAC4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine
SMILESBrc1cn[nH]c1.CN1CCCCC1(C)C
InChIInChI=1S/C8H17N.C3H3BrN2/c1-8(2)6-4-5-7-9(8)3;4-3-1-5-6-2-3/h4-7H2,1-3H3;1-2H,(H,5,6)
InChIKeyPVKPIBMOVAIALM-UHFFFAOYSA-N
MW274.21 g/mol
LogP3.05
Rot. Bonds

About 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine

4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine (PubChem CID 168945310) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine.

Molecular Properties

Compound Name4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine
PubChem CID168945310
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC Name4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine
SMILESBrc1cn[nH]c1.CN1CCCCC1(C)C
InChIInChI=1S/C8H17N.C3H3BrN2/c1-8(2)6-4-5-7-9(8)3;4-3-1-5-6-2-3/h4-7H2,1-3H3;1-2H,(H,5,6)
InChIKeyPVKPIBMOVAIALM-UHFFFAOYSA-N
XLogP3.05
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine?
The IUPAC name of 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine (CID 168945310) is 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine.
What is the SMILES notation for 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine?
The canonical SMILES for 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine is Brc1cn[nH]c1.CN1CCCCC1(C)C.
What is the InChIKey of 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine?
The InChIKey is PVKPIBMOVAIALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C3H3BrN2/c1-8(2)6-4-5-7-9(8)3;4-3-1-5-6-2-3/h4-7H2,1-3H3;1-2H,(H,5,6).
What are the key properties of 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine?
4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine has a molecular weight of 274.21 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1H-pyrazole;1,2,2-trimethylpiperidine is sourced from PubChem (CID 168945310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).