5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine

C11H11FN4O2S — CID 68985269

IUPAC5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1n[nH]c2c1CN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C11H11FN4O2S/c12-7-2-1-3-8(4-7)19(17,18)16-5-9-10(6-16)14-15-11(9)13/h1-4H,5-6H2,(H3,13,14,15)
InChIKeyUUDIAUXORBFEPD-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.84
Rot. Bonds2

About 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine

5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 68985269) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
PubChem CID68985269
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1n[nH]c2c1CN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C11H11FN4O2S/c12-7-2-1-3-8(4-7)19(17,18)16-5-9-10(6-16)14-15-11(9)13/h1-4H,5-6H2,(H3,13,14,15)
InChIKeyUUDIAUXORBFEPD-UHFFFAOYSA-N
XLogP0.84
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine (CID 68985269) is 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine is Nc1n[nH]c2c1CN(S(=O)(=O)c1cccc(F)c1)C2.
What is the InChIKey of 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is UUDIAUXORBFEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c12-7-2-1-3-8(4-7)19(17,18)16-5-9-10(6-16)14-15-11(9)13/h1-4H,5-6H2,(H3,13,14,15).
What are the key properties of 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 282.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 68985269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).