2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine

C15H12BrN3 — CID 102194035

IUPAC2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine
SMILESCC1(c2ccccc2)N=NC(c2ccccn2)=C1Br
InChIInChI=1S/C15H12BrN3/c1-15(11-7-3-2-4-8-11)14(16)13(18-19-15)12-9-5-6-10-17-12/h2-10H,1H3
InChIKeyUIKLRQDCRXWGPM-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.53
Rot. Bonds2

About 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine

2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine (PubChem CID 102194035) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine
PubChem CID102194035
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine
SMILESCC1(c2ccccc2)N=NC(c2ccccn2)=C1Br
InChIInChI=1S/C15H12BrN3/c1-15(11-7-3-2-4-8-11)14(16)13(18-19-15)12-9-5-6-10-17-12/h2-10H,1H3
InChIKeyUIKLRQDCRXWGPM-UHFFFAOYSA-N
XLogP4.53
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine?
The IUPAC name of 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine (CID 102194035) is 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine.
What is the SMILES notation for 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine?
The canonical SMILES for 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine is CC1(c2ccccc2)N=NC(c2ccccn2)=C1Br.
What is the InChIKey of 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine?
The InChIKey is UIKLRQDCRXWGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c1-15(11-7-3-2-4-8-11)14(16)13(18-19-15)12-9-5-6-10-17-12/h2-10H,1H3.
What are the key properties of 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine?
2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine has a molecular weight of 314.19 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-5-phenylpyrazol-3-yl)pyridine is sourced from PubChem (CID 102194035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).