3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

C13H11N3O — CID 4596148

IUPAC3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESc1ccc2oc(-c3[nH]nc4c3CCN4)cc2c1
InChIInChI=1S/C13H11N3O/c1-2-4-10-8(3-1)7-11(17-10)12-9-5-6-14-13(9)16-15-12/h1-4,7H,5-6H2,(H2,14,15,16)
InChIKeyLTBDBVNGZNEXDI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.79
Rot. Bonds1

About 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (PubChem CID 4596148) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
PubChem CID4596148
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESc1ccc2oc(-c3[nH]nc4c3CCN4)cc2c1
InChIInChI=1S/C13H11N3O/c1-2-4-10-8(3-1)7-11(17-10)12-9-5-6-14-13(9)16-15-12/h1-4,7H,5-6H2,(H2,14,15,16)
InChIKeyLTBDBVNGZNEXDI-UHFFFAOYSA-N
XLogP2.79
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57411902
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CID 177372654
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CID 124611729
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CID 10061494
CID 10061494
CID 136417417
CID 136417417
CID 3262916
CID 3262916
CID 3341015
CID 3341015
CID 3568208
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CID 3684655
CID 3684655

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (CID 4596148) is 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is c1ccc2oc(-c3[nH]nc4c3CCN4)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The InChIKey is LTBDBVNGZNEXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-4-10-8(3-1)7-11(17-10)12-9-5-6-14-13(9)16-15-12/h1-4,7H,5-6H2,(H2,14,15,16).
What are the key properties of 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole has a molecular weight of 225.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4596148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).