N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide

C20H28N4OS — CID 118771310

IUPACN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCCCCN1CCn2nc(CNC(=O)CSc3ccccc3C)cc2C1
InChIInChI=1S/C20H28N4OS/c1-3-4-9-23-10-11-24-18(14-23)12-17(22-24)13-21-20(25)15-26-19-8-6-5-7-16(19)2/h5-8,12H,3-4,9-11,13-15H2,1-2H3,(H,21,25)
InChIKeyXDVLKJUNVIGEGJ-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.22
Rot. Bonds8

About N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide

N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 118771310) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID118771310
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCCCCN1CCn2nc(CNC(=O)CSc3ccccc3C)cc2C1
InChIInChI=1S/C20H28N4OS/c1-3-4-9-23-10-11-24-18(14-23)12-17(22-24)13-21-20(25)15-26-19-8-6-5-7-16(19)2/h5-8,12H,3-4,9-11,13-15H2,1-2H3,(H,21,25)
InChIKeyXDVLKJUNVIGEGJ-UHFFFAOYSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methyl-1-phenylurea
CID 118778801
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-indol-1-ylacetamide
CID 118784917
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 118786259
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(1H-imidazol-2-yl)benzamide
CID 118795304
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 118790526
methyl 2-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 118780767
(2S)-N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 121496666
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 118767939
N-[(5-pentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrimidin-2-amine
CID 118765107
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]acetamide
CID 70741291
N-[[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 121499645
N-[[5-(3-cyclopentylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70766531

Frequently Asked Questions

What is the IUPAC name of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide (CID 118771310) is N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide is CCCCN1CCn2nc(CNC(=O)CSc3ccccc3C)cc2C1.
What is the InChIKey of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is XDVLKJUNVIGEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-3-4-9-23-10-11-24-18(14-23)12-17(22-24)13-21-20(25)15-26-19-8-6-5-7-16(19)2/h5-8,12H,3-4,9-11,13-15H2,1-2H3,(H,21,25).
What are the key properties of N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide?
N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 372.54 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 118771310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).