3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid

C16H12Cl2N4O2 — CID 19797552

IUPAC3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C16H12Cl2N4O2/c17-11-3-1-10(2-4-11)13-9-12(5-8-16(23)24)21-22(13)15-7-6-14(18)19-20-15/h1-4,6-7,9H,5,8H2,(H,23,24)
InChIKeyUEVIRFIONYRFDQ-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.65
Rot. Bonds5

About 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid

3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid (PubChem CID 19797552) has the molecular formula C16H12Cl2N4O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid
PubChem CID19797552
Molecular FormulaC16H12Cl2N4O2
Molecular Weight363.20 g/mol
Exact Mass362.03
IUPAC Name3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1
InChIInChI=1S/C16H12Cl2N4O2/c17-11-3-1-10(2-4-11)13-9-12(5-8-16(23)24)21-22(13)15-7-6-14(18)19-20-15/h1-4,6-7,9H,5,8H2,(H,23,24)
InChIKeyUEVIRFIONYRFDQ-UHFFFAOYSA-N
XLogP3.65
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid (CID 19797552) is 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid is O=C(O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid?
The InChIKey is UEVIRFIONYRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2/c17-11-3-1-10(2-4-11)13-9-12(5-8-16(23)24)21-22(13)15-7-6-14(18)19-20-15/h1-4,6-7,9H,5,8H2,(H,23,24).
What are the key properties of 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid?
3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid has a molecular weight of 363.20 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 19797552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).