1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione

C13H10N4O2S — CID 103119514

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione
SMILESCc1nc(C(=O)CC(=O)c2cnn3ccncc23)cs1
InChIInChI=1S/C13H10N4O2S/c1-8-16-10(7-20-8)13(19)4-12(18)9-5-15-17-3-2-14-6-11(9)17/h2-3,5-7H,4H2,1H3
InChIKeyUCLBAXVSOJRVFO-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.95
Rot. Bonds4

About 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione

1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione (PubChem CID 103119514) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione
PubChem CID103119514
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione
SMILESCc1nc(C(=O)CC(=O)c2cnn3ccncc23)cs1
InChIInChI=1S/C13H10N4O2S/c1-8-16-10(7-20-8)13(19)4-12(18)9-5-15-17-3-2-14-6-11(9)17/h2-3,5-7H,4H2,1H3
InChIKeyUCLBAXVSOJRVFO-UHFFFAOYSA-N
XLogP1.95
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103123927
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
2-(1-methylpyrazol-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124105
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
CID 102810732
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794
N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122666
methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120442
tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 103120068
2-(2,3-dichlorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 107311523

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione (CID 103119514) is 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione is Cc1nc(C(=O)CC(=O)c2cnn3ccncc23)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione?
The InChIKey is UCLBAXVSOJRVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-8-16-10(7-20-8)13(19)4-12(18)9-5-15-17-3-2-14-6-11(9)17/h2-3,5-7H,4H2,1H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione?
1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione has a molecular weight of 286.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione is sourced from PubChem (CID 103119514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).