3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

C19H20N4S — CID 50844631

IUPAC3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1cccc(CSc2ccc(-n3nc4c(c3C)CCC4)nn2)c1
InChIInChI=1S/C19H20N4S/c1-13-5-3-6-15(11-13)12-24-19-10-9-18(20-21-19)23-14(2)16-7-4-8-17(16)22-23/h3,5-6,9-11H,4,7-8,12H2,1-2H3
InChIKeyRXCADYINRFTONG-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.06
Rot. Bonds4

About 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole

3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 50844631) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID50844631
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1cccc(CSc2ccc(-n3nc4c(c3C)CCC4)nn2)c1
InChIInChI=1S/C19H20N4S/c1-13-5-3-6-15(11-13)12-24-19-10-9-18(20-21-19)23-14(2)16-7-4-8-17(16)22-23/h3,5-6,9-11H,4,7-8,12H2,1-2H3
InChIKeyRXCADYINRFTONG-UHFFFAOYSA-N
XLogP4.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole with MolForge

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Related Compounds

N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 50844695
2-[(3-methylphenyl)methylsulfanyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135412230
2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
CID 7222560
3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
CID 12006192
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
ethyl 1-[6-[(3-methoxyphenyl)methylsulfanyl]pyridazin-3-yl]-5-methylpyrazole-4-carboxylate
CID 50844729
4-[3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
CID 16603039
3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
CID 41005999
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 7205927
4-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 6465462
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
N-[2-(3-methylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 50844631) is 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is Cc1cccc(CSc2ccc(-n3nc4c(c3C)CCC4)nn2)c1.
What is the InChIKey of 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is RXCADYINRFTONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c1-13-5-3-6-15(11-13)12-24-19-10-9-18(20-21-19)23-14(2)16-7-4-8-17(16)22-23/h3,5-6,9-11H,4,7-8,12H2,1-2H3.
What are the key properties of 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 336.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 50844631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).