3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide

C15H23N5S — CID 104730009

IUPAC3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)c1nccn2nc(C(C)C)cc12
InChIInChI=1S/C15H23N5S/c1-5-19(9-11(4)14(16)21)15-13-8-12(10(2)3)18-20(13)7-6-17-15/h6-8,10-11H,5,9H2,1-4H3,(H2,16,21)
InChIKeyGBKXVPYOVRXJCO-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.60
Rot. Bonds6

About 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide

3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide (PubChem CID 104730009) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide
PubChem CID104730009
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)c1nccn2nc(C(C)C)cc12
InChIInChI=1S/C15H23N5S/c1-5-19(9-11(4)14(16)21)15-13-8-12(10(2)3)18-20(13)7-6-17-15/h6-8,10-11H,5,9H2,1-4H3,(H2,16,21)
InChIKeyGBKXVPYOVRXJCO-UHFFFAOYSA-N
XLogP2.60
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
CID 104733077
N'-(2-methylpropyl)-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729896
N'-butyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 104733660
N',2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729893
N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734078
1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)imidazole-2-carbothioamide
CID 104733768
N-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113499999
3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 104729371
3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]butanethioamide
CID 104730031
2-[cyclobutyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 102869205
4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine
CID 104729261
3-[ethyl-(5-methylpyridazin-3-yl)amino]-2-methylpropanethioamide
CID 106549298

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide (CID 104730009) is 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide is CCN(CC(C)C(N)=S)c1nccn2nc(C(C)C)cc12.
What is the InChIKey of 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide?
The InChIKey is GBKXVPYOVRXJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-5-19(9-11(4)14(16)21)15-13-8-12(10(2)3)18-20(13)7-6-17-15/h6-8,10-11H,5,9H2,1-4H3,(H2,16,21).
What are the key properties of 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide?
3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide has a molecular weight of 305.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 104730009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).