4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one

C10H9BrN4O — CID 103294215

IUPAC4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESO=c1c(Br)c(C2CC2)[nH]n1-c1cccnn1
InChIInChI=1S/C10H9BrN4O/c11-8-9(6-3-4-6)14-15(10(8)16)7-2-1-5-12-13-7/h1-2,5-6,14H,3-4H2
InChIKeyUEPIZKBLDKSBLC-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.60
Rot. Bonds2

About 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one

4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one (PubChem CID 103294215) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one
PubChem CID103294215
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESO=c1c(Br)c(C2CC2)[nH]n1-c1cccnn1
InChIInChI=1S/C10H9BrN4O/c11-8-9(6-3-4-6)14-15(10(8)16)7-2-1-5-12-13-7/h1-2,5-6,14H,3-4H2
InChIKeyUEPIZKBLDKSBLC-UHFFFAOYSA-N
XLogP1.60
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one (CID 103294215) is 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one is O=c1c(Br)c(C2CC2)[nH]n1-c1cccnn1.
What is the InChIKey of 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
The InChIKey is UEPIZKBLDKSBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-8-9(6-3-4-6)14-15(10(8)16)7-2-1-5-12-13-7/h1-2,5-6,14H,3-4H2.
What are the key properties of 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one has a molecular weight of 281.11 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-2-pyridazin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103294215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).