5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C14H12BrN3O2 — CID 66494836

IUPAC5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C)[nH]c2cc(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O2/c1-8-13-11(16-17(2)14(13)20)7-12(19)18(8)10-5-3-9(15)4-6-10/h3-7,16H,1-2H3
InChIKeyXTXBOHIRMSHKDB-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.09
Rot. Bonds1

About 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66494836) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66494836
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C)[nH]c2cc(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O2/c1-8-13-11(16-17(2)14(13)20)7-12(19)18(8)10-5-3-9(15)4-6-10/h3-7,16H,1-2H3
InChIKeyXTXBOHIRMSHKDB-UHFFFAOYSA-N
XLogP2.09
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495161
2-(4-fluorophenyl)-4-methyl-5-pyridin-4-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494761
5-(4-hydroxyphenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494834
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
5-(3,4-difluorophenyl)-4-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494844
5-(3,5-dimethylphenyl)-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494961
1,3,5-tris(4-bromophenyl)-1,3,5-triazinane-2,4,6-trione
CID 10746029
1-(4-bromophenyl)-2,5-dimethylpyrrole
CID 2739609
2-(4-bromophenyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66023358
2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494735
6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 718439
4-[(4-bromophenyl)diazenyl]-2,5-dimethyl-1H-pyrazol-3-one
CID 1492548

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66494836) is 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(C)[nH]c2cc(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is XTXBOHIRMSHKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-8-13-11(16-17(2)14(13)20)7-12(19)18(8)10-5-3-9(15)4-6-10/h3-7,16H,1-2H3.
What are the key properties of 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 334.17 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66494836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).