4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine

C16H15ClN4S — CID 53333553

IUPAC4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine
SMILESClc1ccc(-c2cc3c(N4CCSCC4)nccn3n2)cc1
InChIInChI=1S/C16H15ClN4S/c17-13-3-1-12(2-4-13)14-11-15-16(18-5-6-21(15)19-14)20-7-9-22-10-8-20/h1-6,11H,7-10H2
InChIKeyMZMZJMINSGFJHW-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.60
Rot. Bonds2

About 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine

4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine (PubChem CID 53333553) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine
PubChem CID53333553
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC Name4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine
SMILESClc1ccc(-c2cc3c(N4CCSCC4)nccn3n2)cc1
InChIInChI=1S/C16H15ClN4S/c17-13-3-1-12(2-4-13)14-11-15-16(18-5-6-21(15)19-14)20-7-9-22-10-8-20/h1-6,11H,7-10H2
InChIKeyMZMZJMINSGFJHW-UHFFFAOYSA-N
XLogP3.60
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine?
The IUPAC name of 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine (CID 53333553) is 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine?
The canonical SMILES for 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine is Clc1ccc(-c2cc3c(N4CCSCC4)nccn3n2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine?
The InChIKey is MZMZJMINSGFJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c17-13-3-1-12(2-4-13)14-11-15-16(18-5-6-21(15)19-14)20-7-9-22-10-8-20/h1-6,11H,7-10H2.
What are the key properties of 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine?
4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine has a molecular weight of 330.84 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thiomorpholine is sourced from PubChem (CID 53333553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).