5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one

C12H14BrClN4O — CID 80501785

IUPAC5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one
SMILESCCn1nc(C)c(Cl)c1Cn1cc(N)cc(Br)c1=O
InChIInChI=1S/C12H14BrClN4O/c1-3-18-10(11(14)7(2)16-18)6-17-5-8(15)4-9(13)12(17)19/h4-5H,3,6,15H2,1-2H3
InChIKeyZGUIEZDWBXCRNA-UHFFFAOYSA-N
MW345.63 g/mol
LogP2.42
Rot. Bonds3

About 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one

5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one (PubChem CID 80501785) has the molecular formula C12H14BrClN4O and a molecular weight of 345.63 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one
PubChem CID80501785
Molecular FormulaC12H14BrClN4O
Molecular Weight345.63 g/mol
Exact Mass344.00
IUPAC Name5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one
SMILESCCn1nc(C)c(Cl)c1Cn1cc(N)cc(Br)c1=O
InChIInChI=1S/C12H14BrClN4O/c1-3-18-10(11(14)7(2)16-18)6-17-5-8(15)4-9(13)12(17)19/h4-5H,3,6,15H2,1-2H3
InChIKeyZGUIEZDWBXCRNA-UHFFFAOYSA-N
XLogP2.42
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.63
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 72048510
(E)-N-[[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-4-(dimethylamino)but-2-enamide
CID 146098011
5-Amino-1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one
CID 55038696
5-Amino-1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one
CID 62129331
5-Amino-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]pyridin-2-one
CID 62130908
5-Amino-1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridin-2-one
CID 62130909
5-Amino-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyridin-2-one
CID 65843427
5-Amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 65843622
3-Amino-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyridin-2-one
CID 65844800
5-Bromo-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione
CID 65855274
1-[(4-Bromo-1,3-dimethylpyrazol-5-yl)methyl]-3-methylpyridin-2-one
CID 65857952
5-Amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyridin-2-one
CID 65858580

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one (CID 80501785) is 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one is CCn1nc(C)c(Cl)c1Cn1cc(N)cc(Br)c1=O.
What is the InChIKey of 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one?
The InChIKey is ZGUIEZDWBXCRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4O/c1-3-18-10(11(14)7(2)16-18)6-17-5-8(15)4-9(13)12(17)19/h4-5H,3,6,15H2,1-2H3.
What are the key properties of 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one?
5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one has a molecular weight of 345.63 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one is sourced from PubChem (CID 80501785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).