2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C15H18N4OS — CID 104735481

IUPAC2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCNCCc3cccs3)ccn2n1
InChIInChI=1S/C15H18N4OS/c1-12-11-14-15(20)18(8-9-19(14)17-12)7-6-16-5-4-13-3-2-10-21-13/h2-3,8-11,16H,4-7H2,1H3
InChIKeyCZCHWUOUDIEOCE-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.70
Rot. Bonds6

About 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one

2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735481) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735481
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(CCNCCc3cccs3)ccn2n1
InChIInChI=1S/C15H18N4OS/c1-12-11-14-15(20)18(8-9-19(14)17-12)7-6-16-5-4-13-3-2-10-21-13/h2-3,8-11,16H,4-7H2,1H3
InChIKeyCZCHWUOUDIEOCE-UHFFFAOYSA-N
XLogP1.70
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-[2-(3-methylbutylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735453
5-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446803
5-[2-[(4-bromothiophen-2-yl)methylamino]ethyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735465
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53332269
4,6-dimethyl-1-[2-(2-thiophen-2-ylethylamino)ethyl]pyrimidin-2-one
CID 62563461
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62563025
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
5-[2-(2-thiophen-3-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735362
5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734768
N-[2-(5-chloroindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 63879905
N-[2-(6-bromoindol-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62567755
5-(3-azidopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735481) is 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(CCNCCc3cccs3)ccn2n1.
What is the InChIKey of 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CZCHWUOUDIEOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-12-11-14-15(20)18(8-9-19(14)17-12)7-6-16-5-4-13-3-2-10-21-13/h2-3,8-11,16H,4-7H2,1H3.
What are the key properties of 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 302.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(2-thiophen-2-ylethylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).