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

C15H15FN2O2S — CID 138585875

IUPAC(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESO=S(=O)(c1cc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)C1CC1
InChIInChI=1S/C15H15FN2O2S/c16-12-8-13(10-4-2-1-3-5-10)18-14(12)9-15(17-18)21(19,20)11-6-7-11/h1-5,9,11-13H,6-8H2/t12-,13-/m0/s1
InChIKeyHHINLZLVFLEJQI-STQMWFEESA-N
MW306.36 g/mol
LogP2.82
Rot. Bonds3

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

(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 138585875) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID138585875
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESO=S(=O)(c1cc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)C1CC1
InChIInChI=1S/C15H15FN2O2S/c16-12-8-13(10-4-2-1-3-5-10)18-14(12)9-15(17-18)21(19,20)11-6-7-11/h1-5,9,11-13H,6-8H2/t12-,13-/m0/s1
InChIKeyHHINLZLVFLEJQI-STQMWFEESA-N
XLogP2.82
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole with MolForge

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Related Compounds

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CID 138585840
US11072617, Example 92M26
CID 138585872
US11072617, Example 91M26
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US11072617, Example 57M21
CID 138586081
US11072617, Example 33M18
CID 138605479
3-(5-Phenylpyrazol-1-yl)thiolane 1,1-dioxide
CID 3696359
3-(2,5-Difluorophenyl)-1-methyl-5-methylsulfonylpyrazole
CID 53739886
1-Cyclopentyl-3-(difluoromethyl)-5-(3-fluoro-4-methylsulfonylphenyl)pyrazole
CID 69878303
6-(4-Fluorophenyl)-2,3-dihydropyrazolo[5,1-b][1,3]thiazole
CID 89487733
2-[[(4S,6S)-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl]sulfinyl]acetonitrile
CID 138586143
(4S,6S)-2-(difluoromethylsulfonyl)-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 138586201
2-(difluoromethylsulfanyl)-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 138586226

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 138585875) is (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is O=S(=O)(c1cc2n(n1)[C@H](c1ccccc1)C[C@@H]2F)C1CC1.
What is the InChIKey of (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is HHINLZLVFLEJQI-STQMWFEESA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-8-13(10-4-2-1-3-5-10)18-14(12)9-15(17-18)21(19,20)11-6-7-11/h1-5,9,11-13H,6-8H2/t12-,13-/m0/s1.
What are the key properties of (4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
(4S,6S)-2-cyclopropylsulfonyl-4-fluoro-6-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 306.36 g/mol, XLogP of 2.82, 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-phenyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 138585875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).