2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine

C20H14F3N3S — CID 27372818

IUPAC2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1
InChIInChI=1S/C20H14F3N3S/c21-20(22,23)16-8-4-5-14(11-16)13-27-19-18-12-17(15-6-2-1-3-7-15)25-26(18)10-9-24-19/h1-12H,13H2
InChIKeyVRWOIUFJJMHATC-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.71
Rot. Bonds4

About 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine

2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine (PubChem CID 27372818) has the molecular formula C20H14F3N3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine
PubChem CID27372818
Molecular FormulaC20H14F3N3S
Molecular Weight385.41 g/mol
Exact Mass385.09
IUPAC Name2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1
InChIInChI=1S/C20H14F3N3S/c21-20(22,23)16-8-4-5-14(11-16)13-27-19-18-12-17(15-6-2-1-3-7-15)25-26(18)10-9-24-19/h1-12H,13H2
InChIKeyVRWOIUFJJMHATC-UHFFFAOYSA-N
XLogP5.71
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498350
4-[(4-bromophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
CID 27372817
2-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498918
2-(4-bromophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498914
2-(4-chlorophenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498876
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
CID 27564776
1-(3,5-dimethylphenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-one
CID 9153749
4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
CID 50772078
2-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53334231
2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 71802717
4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 50772088
3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 8699888

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine (CID 27372818) is 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine is FC(F)(F)c1cccc(CSc2nccn3nc(-c4ccccc4)cc23)c1.
What is the InChIKey of 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The InChIKey is VRWOIUFJJMHATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3S/c21-20(22,23)16-8-4-5-14(11-16)13-27-19-18-12-17(15-6-2-1-3-7-15)25-26(18)10-9-24-19/h1-12H,13H2.
What are the key properties of 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine?
2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine has a molecular weight of 385.41 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 27372818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).