1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one

C12H14N4OS — CID 136952923

IUPAC1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESCCn1nc(C)c2c1NC(c1cccs1)C(=O)N2
InChIInChI=1S/C12H14N4OS/c1-3-16-11-9(7(2)15-16)14-12(17)10(13-11)8-5-4-6-18-8/h4-6,10,13H,3H2,1-2H3,(H,14,17)
InChIKeyFIGUDKIXDJLZJV-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.38
Rot. Bonds2

About 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one

1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one (PubChem CID 136952923) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
PubChem CID136952923
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESCCn1nc(C)c2c1NC(c1cccs1)C(=O)N2
InChIInChI=1S/C12H14N4OS/c1-3-16-11-9(7(2)15-16)14-12(17)10(13-11)8-5-4-6-18-8/h4-6,10,13H,3H2,1-2H3,(H,14,17)
InChIKeyFIGUDKIXDJLZJV-UHFFFAOYSA-N
XLogP2.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one with MolForge

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Related Compounds

1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
CID 137011069
1-ethyl-3-methyl-4-nitro-5-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]pyrazole
CID 124628538
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 66124659
(4S)-1-(4-ethylphenyl)-3-methyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136871564
3-methyl-1-pyrimidin-2-yl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135655711
ethyl (4R)-2-oxo-6-(pyrrolidin-1-ylmethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 29047245
6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 115285760
ethyl 2-oxo-6-(piperidin-1-ylmethyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46276919
ethyl (6S)-3-cyclopropyl-4-methyl-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate
CID 41095613
7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 115285765
ethyl (4S,5S)-2-morpholin-4-yl-6-oxo-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 42571724
(4R)-1-(3-chlorophenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135906116

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one (CID 136952923) is 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one is CCn1nc(C)c2c1NC(c1cccs1)C(=O)N2.
What is the InChIKey of 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is FIGUDKIXDJLZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-3-16-11-9(7(2)15-16)14-12(17)10(13-11)8-5-4-6-18-8/h4-6,10,13H,3H2,1-2H3,(H,14,17).
What are the key properties of 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one?
1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 262.34 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 136952923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).