N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide

C20H22N4OS — CID 27564767

IUPACN-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3ccccc3)cc12)NC1CCCCC1
InChIInChI=1S/C20H22N4OS/c25-19(22-16-9-5-2-6-10-16)14-26-20-18-13-17(15-7-3-1-4-8-15)23-24(18)12-11-21-20/h1,3-4,7-8,11-13,16H,2,5-6,9-10,14H2,(H,22,25)
InChIKeyZPHRODSHBYSUPJ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.94
Rot. Bonds5

About N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide

N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (PubChem CID 27564767) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
PubChem CID27564767
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide
SMILESO=C(CSc1nccn2nc(-c3ccccc3)cc12)NC1CCCCC1
InChIInChI=1S/C20H22N4OS/c25-19(22-16-9-5-2-6-10-16)14-26-20-18-13-17(15-7-3-1-4-8-15)23-24(18)12-11-21-20/h1,3-4,7-8,11-13,16H,2,5-6,9-10,14H2,(H,22,25)
InChIKeyZPHRODSHBYSUPJ-UHFFFAOYSA-N
XLogP3.94
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide (CID 27564767) is N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is O=C(CSc1nccn2nc(-c3ccccc3)cc12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
The InChIKey is ZPHRODSHBYSUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-19(22-16-9-5-2-6-10-16)14-26-20-18-13-17(15-7-3-1-4-8-15)23-24(18)12-11-21-20/h1,3-4,7-8,11-13,16H,2,5-6,9-10,14H2,(H,22,25).
What are the key properties of N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide?
N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide has a molecular weight of 366.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)sulfanylacetamide is sourced from PubChem (CID 27564767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).