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

C15H15F2N3O — CID 4272554

IUPAC1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCO3)c3c2NCC3)c(F)c1
InChIInChI=1S/C15H15F2N3O/c16-9-3-4-12(11(17)8-9)20-15-10(5-6-18-15)14(19-20)13-2-1-7-21-13/h3-4,8,13,18H,1-2,5-7H2
InChIKeyOVYYPFORGSSQGM-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.97
Rot. Bonds2

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

1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4272554) has the molecular formula C15H15F2N3O and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4272554
Molecular FormulaC15H15F2N3O
Molecular Weight291.30 g/mol
Exact Mass291.12
IUPAC Name1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCO3)c3c2NCC3)c(F)c1
InChIInChI=1S/C15H15F2N3O/c16-9-3-4-12(11(17)8-9)20-15-10(5-6-18-15)14(19-20)13-2-1-7-21-13/h3-4,8,13,18H,1-2,5-7H2
InChIKeyOVYYPFORGSSQGM-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4272554) is 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Fc1ccc(-n2nc(C3CCCO3)c3c2NCC3)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is OVYYPFORGSSQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O/c16-9-3-4-12(11(17)8-9)20-15-10(5-6-18-15)14(19-20)13-2-1-7-21-13/h3-4,8,13,18H,1-2,5-7H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 291.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4272554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).