2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid

C19H13ClN4O2 — CID 66575782

IUPAC2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C19H13ClN4O2/c20-16-15-17(12-7-3-1-4-8-12)23-24(11-14(25)26)19(15)22-21-18(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,25,26)
InChIKeyMNNUNOJBKPZSEF-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.90
Rot. Bonds4

About 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid

2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid (PubChem CID 66575782) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid
PubChem CID66575782
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid
SMILESO=C(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21
InChIInChI=1S/C19H13ClN4O2/c20-16-15-17(12-7-3-1-4-8-12)23-24(11-14(25)26)19(15)22-21-18(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,25,26)
InChIKeyMNNUNOJBKPZSEF-UHFFFAOYSA-N
XLogP3.90
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic 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 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid?
The IUPAC name of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid (CID 66575782) is 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid is O=C(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21.
What is the InChIKey of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid?
The InChIKey is MNNUNOJBKPZSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-16-15-17(12-7-3-1-4-8-12)23-24(11-14(25)26)19(15)22-21-18(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,25,26).
What are the key properties of 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid?
2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid has a molecular weight of 364.79 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetic acid is sourced from PubChem (CID 66575782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).