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

C14H12FN3S — CID 50772078

IUPAC4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
SMILESCCSc1nccn2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C14H12FN3S/c1-2-19-14-13-9-12(17-18(13)8-7-16-14)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3
InChIKeyGCRWJXWJFRHTLO-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.65
Rot. Bonds3

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

4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine (PubChem CID 50772078) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
PubChem CID50772078
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
SMILESCCSc1nccn2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C14H12FN3S/c1-2-19-14-13-9-12(17-18(13)8-7-16-14)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3
InChIKeyGCRWJXWJFRHTLO-UHFFFAOYSA-N
XLogP3.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 53334320
4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 50772088
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(4-fluorophenyl)-N-methylacetamide
CID 71824988
2-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498918
2-(4-bromophenyl)-4-methylsulfanylpyrazolo[1,5-a]pyrazine
CID 45498910
N-(2,4-difluorophenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334331
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 53334179
2-(4-chlorophenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498876
N-[(2,4-difluorophenyl)methyl]-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334396
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 45498307
N-(4-ethylphenyl)-2-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27372018
4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 27372827

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine (CID 50772078) is 4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine is CCSc1nccn2nc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is GCRWJXWJFRHTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-2-19-14-13-9-12(17-18(13)8-7-16-14)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3.
What are the key properties of 4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine?
4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 273.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 50772078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).