3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol

C10H9ClN4O — CID 169454311

IUPAC3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol
SMILESOCC=Cc1cnn(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C10H9ClN4O/c11-9-3-4-10(14-13-9)15-7-8(6-12-15)2-1-5-16/h1-4,6-7,16H,5H2
InChIKeyYLWIVSYXNKAFKL-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.32
Rot. Bonds3

About 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol

3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol (PubChem CID 169454311) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol
PubChem CID169454311
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol
SMILESOCC=Cc1cnn(-c2ccc(Cl)nn2)c1
InChIInChI=1S/C10H9ClN4O/c11-9-3-4-10(14-13-9)15-7-8(6-12-15)2-1-5-16/h1-4,6-7,16H,5H2
InChIKeyYLWIVSYXNKAFKL-UHFFFAOYSA-N
XLogP1.32
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol 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)pyrazol-4-yl]prop-2-en-1-ol?
The IUPAC name of 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol (CID 169454311) is 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol.
What is the SMILES notation for 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol?
The canonical SMILES for 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol is OCC=Cc1cnn(-c2ccc(Cl)nn2)c1.
What is the InChIKey of 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol?
The InChIKey is YLWIVSYXNKAFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-9-3-4-10(14-13-9)15-7-8(6-12-15)2-1-5-16/h1-4,6-7,16H,5H2.
What are the key properties of 3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol?
3-[1-(6-chloropyridazin-3-yl)pyrazol-4-yl]prop-2-en-1-ol has a molecular weight of 236.66 g/mol, XLogP of 1.32, 3 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)pyrazol-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 169454311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).