3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine

C14H10Cl2N4S — CID 121031313

IUPAC3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
SMILESClc1ccc(CSc2ccc(-n3cccn3)nn2)cc1Cl
InChIInChI=1S/C14H10Cl2N4S/c15-11-3-2-10(8-12(11)16)9-21-14-5-4-13(18-19-14)20-7-1-6-17-20/h1-8H,9H2
InChIKeyMOLSFRDSFZWVIS-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.26
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine

3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine (PubChem CID 121031313) has the molecular formula C14H10Cl2N4S and a molecular weight of 337.24 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
PubChem CID121031313
Molecular FormulaC14H10Cl2N4S
Molecular Weight337.24 g/mol
Exact Mass336.00
IUPAC Name3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
SMILESClc1ccc(CSc2ccc(-n3cccn3)nn2)cc1Cl
InChIInChI=1S/C14H10Cl2N4S/c15-11-3-2-10(8-12(11)16)9-21-14-5-4-13(18-19-14)20-7-1-6-17-20/h1-8H,9H2
InChIKeyMOLSFRDSFZWVIS-UHFFFAOYSA-N
XLogP4.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine
CID 121031404
3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
CID 121031329
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
CID 56766242
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine
CID 41084936
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 43936923
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
CID 56766215
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937004
3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
CID 41005999
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(3,4-dimethoxyphenyl)pyridazine
CID 43936895
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
CID 47053113
N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine (CID 121031313) is 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine is Clc1ccc(CSc2ccc(-n3cccn3)nn2)cc1Cl.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine?
The InChIKey is MOLSFRDSFZWVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4S/c15-11-3-2-10(8-12(11)16)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-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine?
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine has a molecular weight of 337.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine is sourced from PubChem (CID 121031313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).