4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine

C18H15N3S2 — CID 27373086

IUPAC4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
SMILESCc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1
InChIInChI=1S/C18H15N3S2/c1-13-4-6-14(7-5-13)12-23-18-16-11-15(17-3-2-10-22-17)20-21(16)9-8-19-18/h2-11H,12H2,1H3
InChIKeyVRMKHAHUWSWSDR-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.06
Rot. Bonds4

About 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine

4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine (PubChem CID 27373086) has the molecular formula C18H15N3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
PubChem CID27373086
Molecular FormulaC18H15N3S2
Molecular Weight337.47 g/mol
Exact Mass337.07
IUPAC Name4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
SMILESCc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1
InChIInChI=1S/C18H15N3S2/c1-13-4-6-14(7-5-13)12-23-18-16-11-15(17-3-2-10-22-17)20-21(16)9-8-19-18/h2-11H,12H2,1H3
InChIKeyVRMKHAHUWSWSDR-UHFFFAOYSA-N
XLogP5.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 53334274
4-[(4-bromophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
CID 27372817
4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 27372827
2-(4-bromophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498914
2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53334231
4-[[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylmethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 45498771
N-(2,6-dimethylphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509335
1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-amine
CID 56771006
3-[(4-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 2427019
2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 27372818
1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-ol
CID 56771072
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
CID 53333704

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine (CID 27373086) is 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine is Cc1ccc(CSc2nccn3nc(-c4cccs4)cc23)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
The InChIKey is VRMKHAHUWSWSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S2/c1-13-4-6-14(7-5-13)12-23-18-16-11-15(17-3-2-10-22-17)20-21(16)9-8-19-18/h2-11H,12H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine?
4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine has a molecular weight of 337.47 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 27373086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).