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

C15H12FN3S — CID 3876304

IUPAC1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccc(-n2nc(-c3cccs3)c3c2NCC3)cc1
InChIInChI=1S/C15H12FN3S/c16-10-3-5-11(6-4-10)19-15-12(7-8-17-15)14(18-19)13-2-1-9-20-13/h1-6,9,17H,7-8H2
InChIKeyYFHJBUXGIDVIPD-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.71
Rot. Bonds2

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

1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (PubChem CID 3876304) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
PubChem CID3876304
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
SMILESFc1ccc(-n2nc(-c3cccs3)c3c2NCC3)cc1
InChIInChI=1S/C15H12FN3S/c16-10-3-5-11(6-4-10)19-15-12(7-8-17-15)14(18-19)13-2-1-9-20-13/h1-6,9,17H,7-8H2
InChIKeyYFHJBUXGIDVIPD-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole (CID 3876304) is 1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is Fc1ccc(-n2nc(-c3cccs3)c3c2NCC3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
The InChIKey is YFHJBUXGIDVIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c16-10-3-5-11(6-4-10)19-15-12(7-8-17-15)14(18-19)13-2-1-9-20-13/h1-6,9,17H,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole?
1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole has a molecular weight of 285.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-thiophen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 3876304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).