3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine

C21H18N4S — CID 41005999

IUPAC3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
SMILESCc1cccc(CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)c1
InChIInChI=1S/C21H18N4S/c1-16-4-2-5-17(14-16)15-26-21-11-10-20(23-24-21)18-6-8-19(9-7-18)25-13-3-12-22-25/h2-14H,15H2,1H3
InChIKeyWRCSZRNQVHUYPN-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.93
Rot. Bonds5

About 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine

3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine (PubChem CID 41005999) has the molecular formula C21H18N4S and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
PubChem CID41005999
Molecular FormulaC21H18N4S
Molecular Weight358.47 g/mol
Exact Mass358.13
IUPAC Name3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
SMILESCc1cccc(CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)c1
InChIInChI=1S/C21H18N4S/c1-16-4-2-5-17(14-16)15-26-21-11-10-20(23-24-21)18-6-8-19(9-7-18)25-13-3-12-22-25/h2-14H,15H2,1H3
InChIKeyWRCSZRNQVHUYPN-UHFFFAOYSA-N
XLogP4.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 7205927
N-(2-methylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519599
2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
CID 7222560
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519631
3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
CID 12006192
ethyl 4-[2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 41006015
N-[(3-methylphenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43768777
3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
CID 43936866
1-(4-nitrophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanone
CID 16822560
N-[(2S)-3-methylbutan-2-yl]-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6402544
2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 16822557

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine?
The IUPAC name of 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine (CID 41005999) is 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine.
What is the SMILES notation for 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine?
The canonical SMILES for 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine is Cc1cccc(CSc2ccc(-c3ccc(-n4cccn4)cc3)nn2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine?
The InChIKey is WRCSZRNQVHUYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4S/c1-16-4-2-5-17(14-16)15-26-21-11-10-20(23-24-21)18-6-8-19(9-7-18)25-13-3-12-22-25/h2-14H,15H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine?
3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine has a molecular weight of 358.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine is sourced from PubChem (CID 41005999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).