5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole

C15H18FN3O2S — CID 127244850

IUPAC5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
SMILESCS(=O)(=O)c1cn[nH]c1C1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)14-8-17-18-15(14)12-6-7-19(10-12)9-11-2-4-13(16)5-3-11/h2-5,8,12H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyUCGREYLYOWQJGH-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.94
Rot. Bonds4

About 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole

5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole (PubChem CID 127244850) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
PubChem CID127244850
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
SMILESCS(=O)(=O)c1cn[nH]c1C1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN3O2S/c1-22(20,21)14-8-17-18-15(14)12-6-7-19(10-12)9-11-2-4-13(16)5-3-11/h2-5,8,12H,6-7,9-10H2,1H3,(H,17,18)
InChIKeyUCGREYLYOWQJGH-UHFFFAOYSA-N
XLogP1.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326
5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
CID 110106115
5-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125014855
1,4-dimethyl-5-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 124981858
(3R)-1-[(4-fluorophenyl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 124945183
(3S)-1-[(3-methylphenyl)methyl]-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 124990081
5-[(3S)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124942882
5-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244886
(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 99943201
4-methylsulfonyl-5-[(3S)-1-pentan-3-ylpyrrolidin-3-yl]-1H-pyrazole
CID 125006037
N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 110214013

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
The IUPAC name of 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole (CID 127244850) is 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole is CS(=O)(=O)c1cn[nH]c1C1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
The InChIKey is UCGREYLYOWQJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-22(20,21)14-8-17-18-15(14)12-6-7-19(10-12)9-11-2-4-13(16)5-3-11/h2-5,8,12H,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole?
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole has a molecular weight of 323.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole is sourced from PubChem (CID 127244850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).