5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C17H19N3O2 — CID 5296574

IUPAC5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCCCn1c(C)c2c(=O)n(-c3ccccc3)[nH]c2cc1=O
InChIInChI=1S/C17H19N3O2/c1-3-4-10-19-12(2)16-14(11-15(19)21)18-20(17(16)22)13-8-6-5-7-9-13/h5-9,11,18H,3-4,10H2,1-2H3
InChIKeyOVPHLJOLICFPBD-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.59
Rot. Bonds4

About 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 5296574) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID5296574
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCCCn1c(C)c2c(=O)n(-c3ccccc3)[nH]c2cc1=O
InChIInChI=1S/C17H19N3O2/c1-3-4-10-19-12(2)16-14(11-15(19)21)18-20(17(16)22)13-8-6-5-7-9-13/h5-9,11,18H,3-4,10H2,1-2H3
InChIKeyOVPHLJOLICFPBD-UHFFFAOYSA-N
XLogP2.59
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.59
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

4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 4112136
5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 134333595
2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494735
5-[2-(dimethylamino)ethyl]-4-methyl-2-pyrimidin-2-yl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66494969
7-(2-aminoethyl)-4-methyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,6-dione
CID 70536609
4-butyl-2-(4-phenylmethoxyphenyl)-5-(2-pyridin-2-ylethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58358074
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
5-butyl-6-methyl-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 6463277
5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42582120
6,7-dimethyl-2-phenyl-3H-pyrido[3,4-d]pyridazine-1,4,5-trione
CID 100921559
2-(2,3-dichlorophenyl)-4-methyl-5-[4-(4-methylpiperazin-1-yl)-4-oxobutyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 58496417

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 5296574) is 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CCCCn1c(C)c2c(=O)n(-c3ccccc3)[nH]c2cc1=O.
What is the InChIKey of 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is OVPHLJOLICFPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-4-10-19-12(2)16-14(11-15(19)21)18-20(17(16)22)13-8-6-5-7-9-13/h5-9,11,18H,3-4,10H2,1-2H3.
What are the key properties of 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 297.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 5296574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).