4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole

C14H16FN3O2S — CID 95310230

IUPAC4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
SMILESCn1cc(S(=O)(=O)N2CC[C@@H](c3cccc(F)c3)C2)cn1
InChIInChI=1S/C14H16FN3O2S/c1-17-10-14(8-16-17)21(19,20)18-6-5-12(9-18)11-3-2-4-13(15)7-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t12-/m1/s1
InChIKeyMBMITZKXOGEQHO-GFCCVEGCSA-N
MW309.37 g/mol
LogP1.74
Rot. Bonds3

About 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole

4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole (PubChem CID 95310230) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole.

Molecular Properties

Compound Name4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
PubChem CID95310230
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
SMILESCn1cc(S(=O)(=O)N2CC[C@@H](c3cccc(F)c3)C2)cn1
InChIInChI=1S/C14H16FN3O2S/c1-17-10-14(8-16-17)21(19,20)18-6-5-12(9-18)11-3-2-4-13(15)7-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t12-/m1/s1
InChIKeyMBMITZKXOGEQHO-GFCCVEGCSA-N
XLogP1.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-phenylmorpholine
CID 96545659
4-[4-fluoro-2-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxyphenyl]pyridine
CID 118675975
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine
CID 71807083
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
3-tert-butyl-5-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110224431
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid
CID 24863517

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole?
The IUPAC name of 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole (CID 95310230) is 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole.
What is the SMILES notation for 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole?
The canonical SMILES for 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole is Cn1cc(S(=O)(=O)N2CC[C@@H](c3cccc(F)c3)C2)cn1.
What is the InChIKey of 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole?
The InChIKey is MBMITZKXOGEQHO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-17-10-14(8-16-17)21(19,20)18-6-5-12(9-18)11-3-2-4-13(15)7-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole?
4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole has a molecular weight of 309.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole is sourced from PubChem (CID 95310230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).