(3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C15H19N3O3S — CID 133139940

IUPAC(3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCCOc1ccsc1C(=O)N1Cc2ccnn2C(COC)C1
InChIInChI=1S/C15H19N3O3S/c1-3-21-13-5-7-22-14(13)15(19)17-8-11-4-6-16-18(11)12(9-17)10-20-2/h4-7,12H,3,8-10H2,1-2H3
InChIKeyOSKCJCAWZFKTDD-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.19
Rot. Bonds5

About (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

(3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 133139940) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name(3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID133139940
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name(3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCCOc1ccsc1C(=O)N1Cc2ccnn2C(COC)C1
InChIInChI=1S/C15H19N3O3S/c1-3-21-13-5-7-22-14(13)15(19)17-8-11-4-6-16-18(11)12(9-17)10-20-2/h4-7,12H,3,8-10H2,1-2H3
InChIKeyOSKCJCAWZFKTDD-UHFFFAOYSA-N
XLogP2.19
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 133139940) is (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is CCOc1ccsc1C(=O)N1Cc2ccnn2C(COC)C1.
What is the InChIKey of (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is OSKCJCAWZFKTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-21-13-5-7-22-14(13)15(19)17-8-11-4-6-16-18(11)12(9-17)10-20-2/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
(3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 321.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 133139940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).