ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C17H19N3O4S — CID 166252580

IUPACethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)N(C(=O)c1cc(C(C)=O)cs1)C2
InChIInChI=1S/C17H19N3O4S/c1-4-24-17(23)14-6-13-8-19(10(2)7-20(13)18-14)16(22)15-5-12(9-25-15)11(3)21/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyREDKBFFMNFHMHD-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.37
Rot. Bonds4

About ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 166252580) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID166252580
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Nameethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CC(C)N(C(=O)c1cc(C(C)=O)cs1)C2
InChIInChI=1S/C17H19N3O4S/c1-4-24-17(23)14-6-13-8-19(10(2)7-20(13)18-14)16(22)15-5-12(9-25-15)11(3)21/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyREDKBFFMNFHMHD-UHFFFAOYSA-N
XLogP2.37
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

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CID 46279162
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CID 46279196
CID 46279196
CID 46279231
CID 46279231
CID 46279239
CID 46279239
CID 46279248
CID 46279248
CID 46279261
CID 46279261
CID 16847582
CID 16847582
CID 46279328
CID 46279328
CID 71837251
CID 71837251

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 166252580) is ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CC(C)N(C(=O)c1cc(C(C)=O)cs1)C2.
What is the InChIKey of ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is REDKBFFMNFHMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-4-24-17(23)14-6-13-8-19(10(2)7-20(13)18-14)16(22)15-5-12(9-25-15)11(3)21/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 361.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-acetylthiophene-2-carbonyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 166252580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).