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

C19H13Cl2N3S — CID 45498350

IUPAC2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESClc1cccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)c1
InChIInChI=1S/C19H13Cl2N3S/c20-15-5-1-3-13(9-15)12-25-19-18-11-17(23-24(18)8-7-22-19)14-4-2-6-16(21)10-14/h1-11H,12H2
InChIKeyMSPJFYFUPUZZCU-UHFFFAOYSA-N
MW386.31 g/mol
LogP6.00
Rot. Bonds4

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

2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine (PubChem CID 45498350) has the molecular formula C19H13Cl2N3S and a molecular weight of 386.31 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
PubChem CID45498350
Molecular FormulaC19H13Cl2N3S
Molecular Weight386.31 g/mol
Exact Mass385.02
IUPAC Name2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
SMILESClc1cccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)c1
InChIInChI=1S/C19H13Cl2N3S/c20-15-5-1-3-13(9-15)12-25-19-18-11-17(23-24(18)8-7-22-19)14-4-2-6-16(21)10-14/h1-11H,12H2
InChIKeyMSPJFYFUPUZZCU-UHFFFAOYSA-N
XLogP6.00
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 27372818
4-chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazine
CID 53331265
2-(4-bromophenyl)-4-[(3-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498918
4-[(2-chlorophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
CID 27372809
4-[(4-bromophenyl)methylsulfanyl]-2-phenylpyrazolo[1,5-a]pyrazine
CID 27372817
2-(4-bromophenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498914
4-benzylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 27372827
2-(4-chlorophenyl)-4-[(2-fluorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 45498876
4-ethylsulfanyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazine
CID 50772088
4-ethylsulfanyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazine
CID 50772078
4-[(4-methylphenyl)methylsulfanyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrazine
CID 27373086
2-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 71825008

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine (CID 45498350) is 2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine is Clc1cccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
The InChIKey is MSPJFYFUPUZZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3S/c20-15-5-1-3-13(9-15)12-25-19-18-11-17(23-24(18)8-7-22-19)14-4-2-6-16(21)10-14/h1-11H,12H2.
What are the key properties of 2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine?
2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine has a molecular weight of 386.31 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[(3-chlorophenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 45498350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).