(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C15H14F2N2O2S — CID 138605479

IUPAC(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESO=S(=O)(c1cc2n(n1)[C@H](c1ccccc1F)C[C@@H]2F)C1CC1
InChIInChI=1S/C15H14F2N2O2S/c16-11-4-2-1-3-10(11)13-7-12(17)14-8-15(18-19(13)14)22(20,21)9-5-6-9/h1-4,8-9,12-13H,5-7H2/t12-,13-/m0/s1
InChIKeyHPFORLOUOZYMIE-STQMWFEESA-N
MW324.35 g/mol
LogP2.96
Rot. Bonds3

About (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 138605479) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID138605479
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC Name(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESO=S(=O)(c1cc2n(n1)[C@H](c1ccccc1F)C[C@@H]2F)C1CC1
InChIInChI=1S/C15H14F2N2O2S/c16-11-4-2-1-3-10(11)13-7-12(17)14-8-15(18-19(13)14)22(20,21)9-5-6-9/h1-4,8-9,12-13H,5-7H2/t12-,13-/m0/s1
InChIKeyHPFORLOUOZYMIE-STQMWFEESA-N
XLogP2.96
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]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 (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 138605479) is (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is O=S(=O)(c1cc2n(n1)[C@H](c1ccccc1F)C[C@@H]2F)C1CC1.
What is the InChIKey of (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is HPFORLOUOZYMIE-STQMWFEESA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c16-11-4-2-1-3-10(11)13-7-12(17)14-8-15(18-19(13)14)22(20,21)9-5-6-9/h1-4,8-9,12-13H,5-7H2/t12-,13-/m0/s1.
What are the key properties of (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 324.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 138605479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).