4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one

C9H8BrN3O — CID 130729845

IUPAC4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one
SMILESCn1ccc(-n2ccc(Br)n2)cc1=O
InChIInChI=1S/C9H8BrN3O/c1-12-4-2-7(6-9(12)14)13-5-3-8(10)11-13/h2-6H,1H3
InChIKeyVWRAIUSBXVDCPO-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.33
Rot. Bonds1

About 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one

4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one (PubChem CID 130729845) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one
PubChem CID130729845
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one
SMILESCn1ccc(-n2ccc(Br)n2)cc1=O
InChIInChI=1S/C9H8BrN3O/c1-12-4-2-7(6-9(12)14)13-5-3-8(10)11-13/h2-6H,1H3
InChIKeyVWRAIUSBXVDCPO-UHFFFAOYSA-N
XLogP1.33
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one?
The IUPAC name of 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one (CID 130729845) is 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one is Cn1ccc(-n2ccc(Br)n2)cc1=O.
What is the InChIKey of 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one?
The InChIKey is VWRAIUSBXVDCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-12-4-2-7(6-9(12)14)13-5-3-8(10)11-13/h2-6H,1H3.
What are the key properties of 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one?
4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one has a molecular weight of 254.09 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopyrazol-1-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 130729845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).