N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C14H20N4O2S — CID 104730892

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCC3CCS(=O)(=O)C3)nccn2n1
InChIInChI=1S/C14H20N4O2S/c1-10(2)12-7-13-14(15-4-5-18(13)17-12)16-8-11-3-6-21(19,20)9-11/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H,15,16)
InChIKeySGPGRHXISFDRIZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.70
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730892) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730892
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(NCC3CCS(=O)(=O)C3)nccn2n1
InChIInChI=1S/C14H20N4O2S/c1-10(2)12-7-13-14(15-4-5-18(13)17-12)16-8-11-3-6-21(19,20)9-11/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H,15,16)
InChIKeySGPGRHXISFDRIZ-UHFFFAOYSA-N
XLogP1.70
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine with MolForge

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Related Compounds

N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731430
N-[(2-aminocyclohexyl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734256
N-cyclopropyl-2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetamide
CID 104730726
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 107389458
N-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731026
2-methyl-3-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 113446134
methyl 2-[(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104730488
N-(2-methylsulfonylethyl)-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104730795
N,2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104732791
1-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)pentane-1,4-diamine
CID 106127800
N-octyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104731980
N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)butane-1,4-diamine
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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104730892) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(NCC3CCS(=O)(=O)C3)nccn2n1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is SGPGRHXISFDRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10(2)12-7-13-14(15-4-5-18(13)17-12)16-8-11-3-6-21(19,20)9-11/h4-5,7,10-11H,3,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 308.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).