3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one

C11H13BrN4O — CID 167899496

IUPAC3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one
SMILESCn1cc(Br)c(CNCc2ccc[nH]c2=O)n1
InChIInChI=1S/C11H13BrN4O/c1-16-7-9(12)10(15-16)6-13-5-8-3-2-4-14-11(8)17/h2-4,7,13H,5-6H2,1H3,(H,14,17)
InChIKeyUGHLOLRPAPGCMW-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.16
Rot. Bonds4

About 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one

3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one (PubChem CID 167899496) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one
PubChem CID167899496
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one
SMILESCn1cc(Br)c(CNCc2ccc[nH]c2=O)n1
InChIInChI=1S/C11H13BrN4O/c1-16-7-9(12)10(15-16)6-13-5-8-3-2-4-14-11(8)17/h2-4,7,13H,5-6H2,1H3,(H,14,17)
InChIKeyUGHLOLRPAPGCMW-UHFFFAOYSA-N
XLogP1.16
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2-dihydropyridine-3-carboxamide
CID 71808010
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]propanamide
CID 17023016
5-bromo-6-methyl-N-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 75519066
5-Bromo-6-methyl-2-oxo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyridine-3-carbonitrile
CID 136531466
N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 36302201
5-Bromo-1-[(1-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridin-2-one
CID 127267059
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-2-fluoro-2-methylpropanamide
CID 131114986
6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 154782846
N-(4,6-dimethyl-2-oxohydropyridyl)-3-(4-bromo-5-methylpyrazolyl)propanamide
CID 4774564
5-[[4-(aminodiazenyl)-3-(azidomethyl)pyrazol-1-yl]methyl]-1H-pyridin-2-one
CID 124146109
(Z)-4-imino-N-[(1-methylpyrazol-3-yl)methyl]but-2-enamide
CID 154681983
4-Bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 178946194

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one (CID 167899496) is 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one is Cn1cc(Br)c(CNCc2ccc[nH]c2=O)n1.
What is the InChIKey of 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one?
The InChIKey is UGHLOLRPAPGCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-16-7-9(12)10(15-16)6-13-5-8-3-2-4-14-11(8)17/h2-4,7,13H,5-6H2,1H3,(H,14,17).
What are the key properties of 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one?
3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one has a molecular weight of 297.16 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-bromo-1-methylpyrazol-3-yl)methylamino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 167899496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).