3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

C19H13F2N3O — CID 3262916

IUPAC3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccc(-n2nc(-c3cc4ccccc4o3)c3c2NCC3)c(F)c1
InChIInChI=1S/C19H13F2N3O/c20-12-5-6-15(14(21)10-12)24-19-13(7-8-22-19)18(23-24)17-9-11-3-1-2-4-16(11)25-17/h1-6,9-10,22H,7-8H2
InChIKeySEUAODDZPPSIQT-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.53
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole

3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3262916) has the molecular formula C19H13F2N3O and a molecular weight of 337.33 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3262916
Molecular FormulaC19H13F2N3O
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccc(-n2nc(-c3cc4ccccc4o3)c3c2NCC3)c(F)c1
InChIInChI=1S/C19H13F2N3O/c20-12-5-6-15(14(21)10-12)24-19-13(7-8-22-19)18(23-24)17-9-11-3-1-2-4-16(11)25-17/h1-6,9-10,22H,7-8H2
InChIKeySEUAODDZPPSIQT-UHFFFAOYSA-N
XLogP4.53
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3262916) is 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Fc1ccc(-n2nc(-c3cc4ccccc4o3)c3c2NCC3)c(F)c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is SEUAODDZPPSIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O/c20-12-5-6-15(14(21)10-12)24-19-13(7-8-22-19)18(23-24)17-9-11-3-1-2-4-16(11)25-17/h1-6,9-10,22H,7-8H2.
What are the key properties of 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 337.33 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3262916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).