4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine

C15H15N3OS — CID 50772088

IUPAC4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine
SMILESCCSc1nccn2nc(-c3cccc(OC)c3)cc12
InChIInChI=1S/C15H15N3OS/c1-3-20-15-14-10-13(17-18(14)8-7-16-15)11-5-4-6-12(9-11)19-2/h4-10H,3H2,1-2H3
InChIKeyHLTUZVFAWGGREL-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.52
Rot. Bonds4

About 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine

4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 50772088) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine
PubChem CID50772088
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine
SMILESCCSc1nccn2nc(-c3cccc(OC)c3)cc12
InChIInChI=1S/C15H15N3OS/c1-3-20-15-14-10-13(17-18(14)8-7-16-15)11-5-4-6-12(9-11)19-2/h4-10H,3H2,1-2H3
InChIKeyHLTUZVFAWGGREL-UHFFFAOYSA-N
XLogP3.52
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27444905
2-(3-methoxyphenyl)-N,N-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 91886949
4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
CID 50772078
4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 27372827
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27509399
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443662
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 53334188
N-(2,5-dimethoxyphenyl)-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27441032
2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498350
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425
N-(2,4-dimethoxyphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334299
N-cyclopentyl-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443656

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine (CID 50772088) is 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine is CCSc1nccn2nc(-c3cccc(OC)c3)cc12.
What is the InChIKey of 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is HLTUZVFAWGGREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-20-15-14-10-13(17-18(14)8-7-16-15)11-5-4-6-12(9-11)19-2/h4-10H,3H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine?
4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 285.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 50772088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).