4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine

C16H14BrN5O — CID 175003666

IUPAC4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine
SMILESBrc1cn(-c2ccc(OC3CNN3)cc2)nc1-c1ccncc1
InChIInChI=1S/C16H14BrN5O/c17-14-10-22(21-16(14)11-5-7-18-8-6-11)12-1-3-13(4-2-12)23-15-9-19-20-15/h1-8,10,15,19-20H,9H2
InChIKeyLOLIPTITOODUSD-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.51
Rot. Bonds4

About 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine

4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine (PubChem CID 175003666) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine
PubChem CID175003666
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine
SMILESBrc1cn(-c2ccc(OC3CNN3)cc2)nc1-c1ccncc1
InChIInChI=1S/C16H14BrN5O/c17-14-10-22(21-16(14)11-5-7-18-8-6-11)12-1-3-13(4-2-12)23-15-9-19-20-15/h1-8,10,15,19-20H,9H2
InChIKeyLOLIPTITOODUSD-UHFFFAOYSA-N
XLogP2.51
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine?
The IUPAC name of 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine (CID 175003666) is 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine is Brc1cn(-c2ccc(OC3CNN3)cc2)nc1-c1ccncc1.
What is the InChIKey of 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine?
The InChIKey is LOLIPTITOODUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c17-14-10-22(21-16(14)11-5-7-18-8-6-11)12-1-3-13(4-2-12)23-15-9-19-20-15/h1-8,10,15,19-20H,9H2.
What are the key properties of 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine?
4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine has a molecular weight of 372.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-1-[4-(diazetidin-3-yloxy)phenyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 175003666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).