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

C18H20ClN3O3 — CID 158409951

IUPAC1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCOCCCn1c(C)c2c(=O)[nH]n(-c3ccccc3Cl)c2cc1=O
InChIInChI=1S/C18H20ClN3O3/c1-3-25-10-6-9-21-12(2)17-15(11-16(21)23)22(20-18(17)24)14-8-5-4-7-13(14)19/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,20,24)
InChIKeyGZEIKONMCBHAGY-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.87
Rot. Bonds6

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

1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 158409951) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID158409951
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCOCCCn1c(C)c2c(=O)[nH]n(-c3ccccc3Cl)c2cc1=O
InChIInChI=1S/C18H20ClN3O3/c1-3-25-10-6-9-21-12(2)17-15(11-16(21)23)22(20-18(17)24)14-8-5-4-7-13(14)19/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,20,24)
InChIKeyGZEIKONMCBHAGY-UHFFFAOYSA-N
XLogP2.87
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 158409951) is 1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione is CCOCCCn1c(C)c2c(=O)[nH]n(-c3ccccc3Cl)c2cc1=O.
What is the InChIKey of 1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is GZEIKONMCBHAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-3-25-10-6-9-21-12(2)17-15(11-16(21)23)22(20-18(17)24)14-8-5-4-7-13(14)19/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,20,24).
What are the key properties of 1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione?
1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 361.83 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(3-ethoxypropyl)-4-methyl-2H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 158409951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).