5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid

C17H10ClN5O3 — CID 10361637

IUPAC5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-n1nnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H10ClN5O3/c18-10-6-7-14-12(8-10)16(24)23(21-20-14)15-13(17(25)26)9-19-22(15)11-4-2-1-3-5-11/h1-9H,(H,25,26)
InChIKeyHCJUUTOJUULUPY-UHFFFAOYSA-N
MW367.75 g/mol
LogP2.32
Rot. Bonds3

About 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid

5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid (PubChem CID 10361637) has the molecular formula C17H10ClN5O3 and a molecular weight of 367.75 g/mol. Its IUPAC name is 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid
PubChem CID10361637
Molecular FormulaC17H10ClN5O3
Molecular Weight367.75 g/mol
Exact Mass367.05
IUPAC Name5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1-n1nnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H10ClN5O3/c18-10-6-7-14-12(8-10)16(24)23(21-20-14)15-13(17(25)26)9-19-22(15)11-4-2-1-3-5-11/h1-9H,(H,25,26)
InChIKeyHCJUUTOJUULUPY-UHFFFAOYSA-N
XLogP2.32
TPSA102.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-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 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid (CID 10361637) is 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2)c1-n1nnc2ccc(Cl)cc2c1=O.
What is the InChIKey of 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is HCJUUTOJUULUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5O3/c18-10-6-7-14-12(8-10)16(24)23(21-20-14)15-13(17(25)26)9-19-22(15)11-4-2-1-3-5-11/h1-9H,(H,25,26).
What are the key properties of 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid?
5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 367.75 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-4-oxo-1,2,3-benzotriazin-3-yl)-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 10361637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).