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

C10H11BrN4O — CID 103294206

IUPAC4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2cccnn2)c(=O)c1Br
InChIInChI=1S/C10H11BrN4O/c1-2-4-7-9(11)10(16)15(14-7)8-5-3-6-12-13-8/h3,5-6,14H,2,4H2,1H3
InChIKeyFJQFNADCUCEYTA-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.67
Rot. Bonds3

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

4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one (PubChem CID 103294206) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one
PubChem CID103294206
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2cccnn2)c(=O)c1Br
InChIInChI=1S/C10H11BrN4O/c1-2-4-7-9(11)10(16)15(14-7)8-5-3-6-12-13-8/h3,5-6,14H,2,4H2,1H3
InChIKeyFJQFNADCUCEYTA-UHFFFAOYSA-N
XLogP1.67
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one (CID 103294206) is 4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one is CCCc1[nH]n(-c2cccnn2)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
The InChIKey is FJQFNADCUCEYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-2-4-7-9(11)10(16)15(14-7)8-5-3-6-12-13-8/h3,5-6,14H,2,4H2,1H3.
What are the key properties of 4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one?
4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one has a molecular weight of 283.13 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propyl-2-pyridazin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103294206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).