2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C15H14ClN3O2 — CID 66494735

IUPAC2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCn1c(C)c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc1=O
InChIInChI=1S/C15H14ClN3O2/c1-3-18-9(2)14-12(8-13(18)20)17-19(15(14)21)11-6-4-10(16)5-7-11/h4-8,17H,3H2,1-2H3
InChIKeyAVWQYKYWAZUBHC-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.46
Rot. Bonds2

About 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66494735) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66494735
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCn1c(C)c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc1=O
InChIInChI=1S/C15H14ClN3O2/c1-3-18-9(2)14-12(8-13(18)20)17-19(15(14)21)11-6-4-10(16)5-7-11/h4-8,17H,3H2,1-2H3
InChIKeyAVWQYKYWAZUBHC-UHFFFAOYSA-N
XLogP2.46
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66494735) is 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CCn1c(C)c2c(=O)n(-c3ccc(Cl)cc3)[nH]c2cc1=O.
What is the InChIKey of 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is AVWQYKYWAZUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-3-18-9(2)14-12(8-13(18)20)17-19(15(14)21)11-6-4-10(16)5-7-11/h4-8,17H,3H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 303.75 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-ethyl-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66494735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).