(3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone

C16H18FN3O3S — CID 22331205

IUPAC(3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O3S/c1-11-10-12(2)20(18-11)16(21)15-4-3-9-19(15)24(22,23)14-7-5-13(17)6-8-14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyJOFKMUPVOOGPII-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.13
Rot. Bonds3

About (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone

(3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone (PubChem CID 22331205) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone
PubChem CID22331205
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name(3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone
SMILESCc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O3S/c1-11-10-12(2)20(18-11)16(21)15-4-3-9-19(15)24(22,23)14-7-5-13(17)6-8-14/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyJOFKMUPVOOGPII-UHFFFAOYSA-N
XLogP2.13
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
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CID 3244073
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-[4-(2-fluorophenyl)piperazin-1-YL]propan-1-one
CID 16027727
1-({1-[(4-chlorophenyl)sulfonyl]pyrrolidin-2-yl}carbonyl)-3,5-dimethyl-1H-pyrazole
CID 3243549
(3,5-dimethyl-4-(phenylthio)-1H-pyrazol-1-yl)(1-((4-fluorophenyl)sulfonyl)pyrrolidin-2-yl)methanone
CID 3448843
3-[3,5-Dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-YL]-1-(4-phenylpiperazin-1-YL)propan-1-one
CID 16028051
1-[1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carbonyl]-3,5-dimethyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazole
CID 3540867
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 24981020
N-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 32416518
N-(1,3-dimethyl-1H-pyrazol-5-yl)-1-((4-fluorophenyl)sulfonyl)pyrrolidine-2-carboxamide
CID 44051542
(3,5-dimethyl-1H-pyrazol-1-yl)[1-(phenylsulfonyl)pyrrolidin-2-yl]methanone
CID 3373140
[1-(4-Bromophenyl)sulfonylpyrrolidin-2-yl]-(3,5-dimethylpyrazol-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone (CID 22331205) is (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone is Cc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone?
The InChIKey is JOFKMUPVOOGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-11-10-12(2)20(18-11)16(21)15-4-3-9-19(15)24(22,23)14-7-5-13(17)6-8-14/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone?
(3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone has a molecular weight of 351.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 22331205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).