3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one

C9H10N4O — CID 687076

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one
SMILESCc1cc(C)n(-c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C9H10N4O/c1-6-5-7(2)13(12-6)8-3-4-9(14)11-10-8/h3-5H,1-2H3,(H,11,14)
InChIKeyBZPBXAFQGVLSFI-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.57
Rot. Bonds1

About 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one

3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one (PubChem CID 687076) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one
PubChem CID687076
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one
SMILESCc1cc(C)n(-c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C9H10N4O/c1-6-5-7(2)13(12-6)8-3-4-9(14)11-10-8/h3-5H,1-2H3,(H,11,14)
InChIKeyBZPBXAFQGVLSFI-UHFFFAOYSA-N
XLogP0.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one (CID 687076) is 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one is Cc1cc(C)n(-c2ccc(=O)[nH]n2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one?
The InChIKey is BZPBXAFQGVLSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-5-7(2)13(12-6)8-3-4-9(14)11-10-8/h3-5H,1-2H3,(H,11,14).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one?
3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one has a molecular weight of 190.21 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 687076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).