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

C15H16FN3O — CID 3917567

IUPAC1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCO3)c3c2NCC3)cc1
InChIInChI=1S/C15H16FN3O/c16-10-3-5-11(6-4-10)19-15-12(7-8-17-15)14(18-19)13-2-1-9-20-13/h3-6,13,17H,1-2,7-9H2
InChIKeyHLOPHTDEWSOCJQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.83
Rot. Bonds2

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

1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3917567) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3917567
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCO3)c3c2NCC3)cc1
InChIInChI=1S/C15H16FN3O/c16-10-3-5-11(6-4-10)19-15-12(7-8-17-15)14(18-19)13-2-1-9-20-13/h3-6,13,17H,1-2,7-9H2
InChIKeyHLOPHTDEWSOCJQ-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.83
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-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3917567) is 1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Fc1ccc(-n2nc(C3CCCO3)c3c2NCC3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is HLOPHTDEWSOCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-10-3-5-11(6-4-10)19-15-12(7-8-17-15)14(18-19)13-2-1-9-20-13/h3-6,13,17H,1-2,7-9H2.
What are the key properties of 1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(4-fluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 273.31 g/mol, XLogP of 2.83, 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-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3917567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).