5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine

C9H11Br2N3 — CID 19751504

IUPAC5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2n[nH]c(Br)c2Br)C1
InChIInChI=1S/C9H11Br2N3/c1-14-4-2-3-6(5-14)8-7(10)9(11)13-12-8/h3H,2,4-5H2,1H3,(H,12,13)
InChIKeyWUPCILQISFMYIM-UHFFFAOYSA-N
MW321.02 g/mol
LogP2.65
Rot. Bonds1

About 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine

5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 19751504) has the molecular formula C9H11Br2N3 and a molecular weight of 321.02 g/mol. Its IUPAC name is 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID19751504
Molecular FormulaC9H11Br2N3
Molecular Weight321.02 g/mol
Exact Mass318.93
IUPAC Name5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2n[nH]c(Br)c2Br)C1
InChIInChI=1S/C9H11Br2N3/c1-14-4-2-3-6(5-14)8-7(10)9(11)13-12-8/h3H,2,4-5H2,1H3,(H,12,13)
InChIKeyWUPCILQISFMYIM-UHFFFAOYSA-N
XLogP2.65
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.02
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 19751504) is 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC=C(c2n[nH]c(Br)c2Br)C1.
What is the InChIKey of 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is WUPCILQISFMYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3/c1-14-4-2-3-6(5-14)8-7(10)9(11)13-12-8/h3H,2,4-5H2,1H3,(H,12,13).
What are the key properties of 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 321.02 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromo-1H-pyrazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19751504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).