3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine

C18H20N4O2S — CID 121031286

IUPAC3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCOc1cc(CSc2ccc(-n3nc(C)cc3C)nn2)cc(OC)c1
InChIInChI=1S/C18H20N4O2S/c1-12-7-13(2)22(21-12)17-5-6-18(20-19-17)25-11-14-8-15(23-3)10-16(9-14)24-4/h5-10H,11H2,1-4H3
InChIKeyUZBCIAZSJLWDAT-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.59
Rot. Bonds6

About 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine

3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 121031286) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
PubChem CID121031286
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCOc1cc(CSc2ccc(-n3nc(C)cc3C)nn2)cc(OC)c1
InChIInChI=1S/C18H20N4O2S/c1-12-7-13(2)22(21-12)17-5-6-18(20-19-17)25-11-14-8-15(23-3)10-16(9-14)24-4/h5-10H,11H2,1-4H3
InChIKeyUZBCIAZSJLWDAT-UHFFFAOYSA-N
XLogP3.59
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine
CID 121031284
3-(3,5-dimethylpyrazol-1-yl)-6-prop-2-enylsulfanylpyridazine
CID 121031281
4-[3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
CID 16603039
1-(azepan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 17463551
ethyl 5-amino-4-cyano-3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]thiophene-2-carboxylate
CID 16603028
N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 24600183
3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one
CID 17440577
1-[4-(4-bromophenyl)phenyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 16603024
N-[2-(4-bromophenoxy)ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-methylacetamide
CID 16603056
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenoxy)propyl]pyridazin-3-amine
CID 133323969
1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305444
3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-methyl-1,2,4,5-tetrazine
CID 164728572

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (CID 121031286) is 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is COc1cc(CSc2ccc(-n3nc(C)cc3C)nn2)cc(OC)c1.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The InChIKey is UZBCIAZSJLWDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-7-13(2)22(21-12)17-5-6-18(20-19-17)25-11-14-8-15(23-3)10-16(9-14)24-4/h5-10H,11H2,1-4H3.
What are the key properties of 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 356.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 121031286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).