7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid

C17H8Cl2N2O4 — CID 143698354

IUPAC7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2Cl)c2c1oc(=O)c1cc(Cl)ccc12
InChIInChI=1S/C17H8Cl2N2O4/c18-8-5-6-9-10(7-8)17(24)25-15-13(16(22)23)20-21(14(9)15)12-4-2-1-3-11(12)19/h1-7H,(H,22,23)
InChIKeyCJYSXSSAOWWQRG-UHFFFAOYSA-N
MW375.17 g/mol
LogP4.14
Rot. Bonds2

About 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid

7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 143698354) has the molecular formula C17H8Cl2N2O4 and a molecular weight of 375.17 g/mol. Its IUPAC name is 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid
PubChem CID143698354
Molecular FormulaC17H8Cl2N2O4
Molecular Weight375.17 g/mol
Exact Mass373.99
IUPAC Name7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2Cl)c2c1oc(=O)c1cc(Cl)ccc12
InChIInChI=1S/C17H8Cl2N2O4/c18-8-5-6-9-10(7-8)17(24)25-15-13(16(22)23)20-21(14(9)15)12-4-2-1-3-11(12)19/h1-7H,(H,22,23)
InChIKeyCJYSXSSAOWWQRG-UHFFFAOYSA-N
XLogP4.14
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.17
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid 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 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid (CID 143698354) is 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2Cl)c2c1oc(=O)c1cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is CJYSXSSAOWWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl2N2O4/c18-8-5-6-9-10(7-8)17(24)25-15-13(16(22)23)20-21(14(9)15)12-4-2-1-3-11(12)19/h1-7H,(H,22,23).
What are the key properties of 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid?
7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 375.17 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-chlorophenyl)-5-oxoisochromeno[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 143698354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).