N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide

C20H22N4OS — CID 27509317

IUPACN-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
SMILESCc1ccc(-c2cc3c(SCC(=O)NC4CCCC4)nccn3n2)cc1
InChIInChI=1S/C20H22N4OS/c1-14-6-8-15(9-7-14)17-12-18-20(21-10-11-24(18)23-17)26-13-19(25)22-16-4-2-3-5-16/h6-12,16H,2-5,13H2,1H3,(H,22,25)
InChIKeyABMRHMUDUINYHX-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.86
Rot. Bonds5

About N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide

N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide (PubChem CID 27509317) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
PubChem CID27509317
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
SMILESCc1ccc(-c2cc3c(SCC(=O)NC4CCCC4)nccn3n2)cc1
InChIInChI=1S/C20H22N4OS/c1-14-6-8-15(9-7-14)17-12-18-20(21-10-11-24(18)23-17)26-13-19(25)22-16-4-2-3-5-16/h6-12,16H,2-5,13H2,1H3,(H,22,25)
InChIKeyABMRHMUDUINYHX-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide (CID 27509317) is N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide is Cc1ccc(-c2cc3c(SCC(=O)NC4CCCC4)nccn3n2)cc1.
What is the InChIKey of N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
The InChIKey is ABMRHMUDUINYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-6-8-15(9-7-14)17-12-18-20(21-10-11-24(18)23-17)26-13-19(25)22-16-4-2-3-5-16/h6-12,16H,2-5,13H2,1H3,(H,22,25).
What are the key properties of N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide?
N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide has a molecular weight of 366.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide is sourced from PubChem (CID 27509317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).