5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole

C15H18FN3O2S — CID 164627554

IUPAC5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
SMILESCc1cc(F)ccc1[C@@H]1CCCN1S(=O)(=O)c1ccnn1C
InChIInChI=1S/C15H18FN3O2S/c1-11-10-12(16)5-6-13(11)14-4-3-9-19(14)22(20,21)15-7-8-17-18(15)2/h5-8,10,14H,3-4,9H2,1-2H3/t14-/m0/s1
InChIKeyOSITWORIDWKMJP-AWEZNQCLSA-N
MW323.39 g/mol
LogP2.39
Rot. Bonds3

About 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole

5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole (PubChem CID 164627554) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole.

Molecular Properties

Compound Name5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
PubChem CID164627554
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
SMILESCc1cc(F)ccc1[C@@H]1CCCN1S(=O)(=O)c1ccnn1C
InChIInChI=1S/C15H18FN3O2S/c1-11-10-12(16)5-6-13(11)14-4-3-9-19(14)22(20,21)15-7-8-17-18(15)2/h5-8,10,14H,3-4,9H2,1-2H3/t14-/m0/s1
InChIKeyOSITWORIDWKMJP-AWEZNQCLSA-N
XLogP2.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole?
The IUPAC name of 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole (CID 164627554) is 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole.
What is the SMILES notation for 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole?
The canonical SMILES for 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole is Cc1cc(F)ccc1[C@@H]1CCCN1S(=O)(=O)c1ccnn1C.
What is the InChIKey of 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole?
The InChIKey is OSITWORIDWKMJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-11-10-12(16)5-6-13(11)14-4-3-9-19(14)22(20,21)15-7-8-17-18(15)2/h5-8,10,14H,3-4,9H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole?
5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole has a molecular weight of 323.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(4-fluoro-2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole is sourced from PubChem (CID 164627554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).