2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide

C19H19ClN4OS — CID 27549499

IUPAC2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NC1CCCC1
InChIInChI=1S/C19H19ClN4OS/c20-14-7-5-13(6-8-14)16-11-17-19(21-9-10-24(17)23-16)26-12-18(25)22-15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H,22,25)
InChIKeyPODINUAVCCROTB-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.20
Rot. Bonds5

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

2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide (PubChem CID 27549499) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide
PubChem CID27549499
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NC1CCCC1
InChIInChI=1S/C19H19ClN4OS/c20-14-7-5-13(6-8-14)16-11-17-19(21-9-10-24(17)23-16)26-12-18(25)22-15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H,22,25)
InChIKeyPODINUAVCCROTB-UHFFFAOYSA-N
XLogP4.20
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide (CID 27549499) is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide is O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NC1CCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide?
The InChIKey is PODINUAVCCROTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c20-14-7-5-13(6-8-14)16-11-17-19(21-9-10-24(17)23-16)26-12-18(25)22-15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H,22,25).
What are the key properties of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide?
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide has a molecular weight of 386.91 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 27549499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).