3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one

C10H10BrN3O — CID 114761326

IUPAC3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
SMILESCn1ccc(Cn2cccc(Br)c2=O)n1
InChIInChI=1S/C10H10BrN3O/c1-13-6-4-8(12-13)7-14-5-2-3-9(11)10(14)15/h2-6H,7H2,1H3
InChIKeyOTCUKSTVYACXDB-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.39
Rot. Bonds2

About 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one

3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one (PubChem CID 114761326) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
PubChem CID114761326
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
SMILESCn1ccc(Cn2cccc(Br)c2=O)n1
InChIInChI=1S/C10H10BrN3O/c1-13-6-4-8(12-13)7-14-5-2-3-9(11)10(14)15/h2-6H,7H2,1H3
InChIKeyOTCUKSTVYACXDB-UHFFFAOYSA-N
XLogP1.39
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 82882780
5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82875940
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 114760853
3-bromo-1-(iodomethyl)pyridin-2-one
CID 172778363
3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
CID 114761246
3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one
CID 114761354
3-bromo-1-[(2-methylphenyl)methyl]pyridin-2-one
CID 114761203
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-3-carboxylic acid
CID 82869902
6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid
CID 106903799
ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82876264
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one (CID 114761326) is 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one is Cn1ccc(Cn2cccc(Br)c2=O)n1.
What is the InChIKey of 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one?
The InChIKey is OTCUKSTVYACXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-13-6-4-8(12-13)7-14-5-2-3-9(11)10(14)15/h2-6H,7H2,1H3.
What are the key properties of 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one?
3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one has a molecular weight of 268.11 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 114761326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).