3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid

C16H13ClN4O2 — CID 46918793

IUPAC3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccccc2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C16H13ClN4O2/c17-14-7-8-15(19-18-14)21-13(11-4-2-1-3-5-11)10-12(20-21)6-9-16(22)23/h1-5,7-8,10H,6,9H2,(H,22,23)
InChIKeyQFNYFAAGQPWGMS-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.00
Rot. Bonds5

About 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid

3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid (PubChem CID 46918793) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid
PubChem CID46918793
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccccc2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C16H13ClN4O2/c17-14-7-8-15(19-18-14)21-13(11-4-2-1-3-5-11)10-12(20-21)6-9-16(22)23/h1-5,7-8,10H,6,9H2,(H,22,23)
InChIKeyQFNYFAAGQPWGMS-UHFFFAOYSA-N
XLogP3.00
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic 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 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid (CID 46918793) is 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid is O=C(O)CCc1cc(-c2ccccc2)n(-c2ccc(Cl)nn2)n1.
What is the InChIKey of 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid?
The InChIKey is QFNYFAAGQPWGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-14-7-8-15(19-18-14)21-13(11-4-2-1-3-5-11)10-12(20-21)6-9-16(22)23/h1-5,7-8,10H,6,9H2,(H,22,23).
What are the key properties of 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid?
3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid has a molecular weight of 328.76 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloropyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid is sourced from PubChem (CID 46918793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).