1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole

C16H19F2N3O2S — CID 50747025

IUPAC1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCc1ccc(C2CCCN2S(=O)(=O)c2cnn(C(F)F)c2C)cc1
InChIInChI=1S/C16H19F2N3O2S/c1-11-5-7-13(8-6-11)14-4-3-9-20(14)24(22,23)15-10-19-21(12(15)2)16(17)18/h5-8,10,14,16H,3-4,9H2,1-2H3
InChIKeyWPQRFXLXISHCBM-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.42
Rot. Bonds4

About 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole

1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole (PubChem CID 50747025) has the molecular formula C16H19F2N3O2S and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole
PubChem CID50747025
Molecular FormulaC16H19F2N3O2S
Molecular Weight355.41 g/mol
Exact Mass355.12
IUPAC Name1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCc1ccc(C2CCCN2S(=O)(=O)c2cnn(C(F)F)c2C)cc1
InChIInChI=1S/C16H19F2N3O2S/c1-11-5-7-13(8-6-11)14-4-3-9-20(14)24(22,23)15-10-19-21(12(15)2)16(17)18/h5-8,10,14,16H,3-4,9H2,1-2H3
InChIKeyWPQRFXLXISHCBM-UHFFFAOYSA-N
XLogP3.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
[(1,3-Dimethylpyrazol-4-yl)sulfonyl][6-methyl-2-(methylethyl)phenyl]amine
CID 6468977
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873460
4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzenesulfonamide
CID 10223461
1,3-dimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 29089490
1-ethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 29089857
1,5-dimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 29089959
US9656955, Example 483
CID 90405101
US9656955, Example 476
CID 90406931

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole?
The IUPAC name of 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole (CID 50747025) is 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole is Cc1ccc(C2CCCN2S(=O)(=O)c2cnn(C(F)F)c2C)cc1.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole?
The InChIKey is WPQRFXLXISHCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2S/c1-11-5-7-13(8-6-11)14-4-3-9-20(14)24(22,23)15-10-19-21(12(15)2)16(17)18/h5-8,10,14,16H,3-4,9H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole?
1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole has a molecular weight of 355.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylpyrazole is sourced from PubChem (CID 50747025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).