4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole

C20H20FN3O2S — CID 2738254

IUPAC4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole
SMILESCc1c(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H20FN3O2S/c1-15-20(14-22-24(15)18-6-3-2-4-7-18)27(25,26)23-13-5-8-19(23)16-9-11-17(21)12-10-16/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3
InChIKeyYWSRXEIUHOGUIB-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.85
Rot. Bonds4

About 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole

4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole (PubChem CID 2738254) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole
PubChem CID2738254
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole
SMILESCc1c(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H20FN3O2S/c1-15-20(14-22-24(15)18-6-3-2-4-7-18)27(25,26)23-13-5-8-19(23)16-9-11-17(21)12-10-16/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3
InChIKeyYWSRXEIUHOGUIB-UHFFFAOYSA-N
XLogP3.85
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole?
The IUPAC name of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole (CID 2738254) is 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole.
What is the SMILES notation for 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole?
The canonical SMILES for 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole is Cc1c(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cnn1-c1ccccc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole?
The InChIKey is YWSRXEIUHOGUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-15-20(14-22-24(15)18-6-3-2-4-7-18)27(25,26)23-13-5-8-19(23)16-9-11-17(21)12-10-16/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole?
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole has a molecular weight of 385.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1-phenylpyrazole is sourced from PubChem (CID 2738254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).