furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

C16H15N3O2S — CID 53165183

IUPACfuran-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESO=C(c1ccco1)N1CCCn2nc(-c3cccs3)cc2C1
InChIInChI=1S/C16H15N3O2S/c20-16(14-4-1-8-21-14)18-6-3-7-19-12(11-18)10-13(17-19)15-5-2-9-22-15/h1-2,4-5,8-10H,3,6-7,11H2
InChIKeyXFPBBUGZZXQTBO-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.25
Rot. Bonds2

About furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (PubChem CID 53165183) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
PubChem CID53165183
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Namefuran-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESO=C(c1ccco1)N1CCCn2nc(-c3cccs3)cc2C1
InChIInChI=1S/C16H15N3O2S/c20-16(14-4-1-8-21-14)18-6-3-7-19-12(11-18)10-13(17-19)15-5-2-9-22-15/h1-2,4-5,8-10H,3,6-7,11H2
InChIKeyXFPBBUGZZXQTBO-UHFFFAOYSA-N
XLogP3.25
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The IUPAC name of furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (CID 53165183) is furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.
What is the SMILES notation for furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The canonical SMILES for furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is O=C(c1ccco1)N1CCCn2nc(-c3cccs3)cc2C1.
What is the InChIKey of furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The InChIKey is XFPBBUGZZXQTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-16(14-4-1-8-21-14)18-6-3-7-19-12(11-18)10-13(17-19)15-5-2-9-22-15/h1-2,4-5,8-10H,3,6-7,11H2.
What are the key properties of furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone has a molecular weight of 313.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2-thiophen-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is sourced from PubChem (CID 53165183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).