3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine

C14H10F2N4S — CID 121031329

IUPAC3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
SMILESFc1ccc(F)c(CSc2ccc(-n3cccn3)nn2)c1
InChIInChI=1S/C14H10F2N4S/c15-11-2-3-12(16)10(8-11)9-21-14-5-4-13(18-19-14)20-7-1-6-17-20/h1-8H,9H2
InChIKeyCEPSUYYHBDXLJN-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.23
Rot. Bonds4

About 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine

3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine (PubChem CID 121031329) has the molecular formula C14H10F2N4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
PubChem CID121031329
Molecular FormulaC14H10F2N4S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
SMILESFc1ccc(F)c(CSc2ccc(-n3cccn3)nn2)c1
InChIInChI=1S/C14H10F2N4S/c15-11-2-3-12(16)10(8-11)9-21-14-5-4-13(18-19-14)20-7-1-6-17-20/h1-8H,9H2
InChIKeyCEPSUYYHBDXLJN-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine 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-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine (CID 121031329) is 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine is Fc1ccc(F)c(CSc2ccc(-n3cccn3)nn2)c1.
What is the InChIKey of 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine?
The InChIKey is CEPSUYYHBDXLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4S/c15-11-2-3-12(16)10(8-11)9-21-14-5-4-13(18-19-14)20-7-1-6-17-20/h1-8H,9H2.
What are the key properties of 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine?
3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine has a molecular weight of 304.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 121031329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).