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

C19H14FN3O — CID 3568208

IUPAC3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccccc1-n1nc(-c2cc3ccccc3o2)c2c1NCC2
InChIInChI=1S/C19H14FN3O/c20-14-6-2-3-7-15(14)23-19-13(9-10-21-19)18(22-23)17-11-12-5-1-4-8-16(12)24-17/h1-8,11,21H,9-10H2
InChIKeyPNXCZSRFAZJHGY-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.39
Rot. Bonds2

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

3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3568208) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3568208
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccccc1-n1nc(-c2cc3ccccc3o2)c2c1NCC2
InChIInChI=1S/C19H14FN3O/c20-14-6-2-3-7-15(14)23-19-13(9-10-21-19)18(22-23)17-11-12-5-1-4-8-16(12)24-17/h1-8,11,21H,9-10H2
InChIKeyPNXCZSRFAZJHGY-UHFFFAOYSA-N
XLogP4.39
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.39
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-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3568208) is 3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Fc1ccccc1-n1nc(-c2cc3ccccc3o2)c2c1NCC2.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is PNXCZSRFAZJHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-14-6-2-3-7-15(14)23-19-13(9-10-21-19)18(22-23)17-11-12-5-1-4-8-16(12)24-17/h1-8,11,21H,9-10H2.
What are the key properties of 3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
3-(1-benzofuran-2-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 319.34 g/mol, XLogP of 4.39, 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-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3568208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).