2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C12H11F2N3OS — CID 156875624

IUPAC2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESFC(F)Oc1ccc(Sn2cc3c(n2)CNC3)cc1
InChIInChI=1S/C12H11F2N3OS/c13-12(14)18-9-1-3-10(4-2-9)19-17-7-8-5-15-6-11(8)16-17/h1-4,7,12,15H,5-6H2
InChIKeyDPOQQAWBOVFLMP-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.64
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 156875624) has the molecular formula C12H11F2N3OS and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID156875624
Molecular FormulaC12H11F2N3OS
Molecular Weight283.30 g/mol
Exact Mass283.06
IUPAC Name2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESFC(F)Oc1ccc(Sn2cc3c(n2)CNC3)cc1
InChIInChI=1S/C12H11F2N3OS/c13-12(14)18-9-1-3-10(4-2-9)19-17-7-8-5-15-6-11(8)16-17/h1-4,7,12,15H,5-6H2
InChIKeyDPOQQAWBOVFLMP-UHFFFAOYSA-N
XLogP2.64
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 156875624) is 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is FC(F)Oc1ccc(Sn2cc3c(n2)CNC3)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is DPOQQAWBOVFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c13-12(14)18-9-1-3-10(4-2-9)19-17-7-8-5-15-6-11(8)16-17/h1-4,7,12,15H,5-6H2.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 283.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]sulfanyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 156875624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).