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

C18H17FN4S — CID 50844666

IUPAC2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1c2c(nn1-c1ccc(SCc3ccccc3F)nn1)CCC2
InChIInChI=1S/C18H17FN4S/c1-12-14-6-4-8-16(14)22-23(12)17-9-10-18(21-20-17)24-11-13-5-2-3-7-15(13)19/h2-3,5,7,9-10H,4,6,8,11H2,1H3
InChIKeyMKJIUCATTAZCMO-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.89
Rot. Bonds4

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

2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 50844666) has the molecular formula C18H17FN4S and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID50844666
Molecular FormulaC18H17FN4S
Molecular Weight340.43 g/mol
Exact Mass340.12
IUPAC Name2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1c2c(nn1-c1ccc(SCc3ccccc3F)nn1)CCC2
InChIInChI=1S/C18H17FN4S/c1-12-14-6-4-8-16(14)22-23(12)17-9-10-18(21-20-17)24-11-13-5-2-3-7-15(13)19/h2-3,5,7,9-10H,4,6,8,11H2,1H3
InChIKeyMKJIUCATTAZCMO-UHFFFAOYSA-N
XLogP3.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-methyl-2-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 50844631
N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 50844695
2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 50844410
3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine
CID 121031377
ethyl 5-methyl-1-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]pyrazole-4-carboxylate
CID 50844564
3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine
CID 7205808
3-[(2-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
CID 2412117
4-[(2-fluorophenyl)methylsulfanyl]-1-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 35572511
5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyridine
CID 112815230
3-[(2,5-difluorophenyl)methylsulfanyl]-6-pyrazol-1-ylpyridazine
CID 121031329
5-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2-(2-methoxyphenyl)-4-methyl-1,3-thiazole
CID 43957431
3-[(2-fluorophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole
CID 6957225

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 50844666) is 2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole is Cc1c2c(nn1-c1ccc(SCc3ccccc3F)nn1)CCC2.
What is the InChIKey of 2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is MKJIUCATTAZCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4S/c1-12-14-6-4-8-16(14)22-23(12)17-9-10-18(21-20-17)24-11-13-5-2-3-7-15(13)19/h2-3,5,7,9-10H,4,6,8,11H2,1H3.
What are the key properties of 2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 340.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 50844666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).