1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole

C15H16F3N3O2S — CID 50747176

IUPAC1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
SMILESCc1c(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cnn1C(F)F
InChIInChI=1S/C15H16F3N3O2S/c1-10-14(9-19-21(10)15(17)18)24(22,23)20-8-2-3-13(20)11-4-6-12(16)7-5-11/h4-7,9,13,15H,2-3,8H2,1H3
InChIKeyVSZHFCQRFDRHKB-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.25
Rot. Bonds4

About 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole

1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole (PubChem CID 50747176) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
PubChem CID50747176
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole
SMILESCc1c(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cnn1C(F)F
InChIInChI=1S/C15H16F3N3O2S/c1-10-14(9-19-21(10)15(17)18)24(22,23)20-8-2-3-13(20)11-4-6-12(16)7-5-11/h4-7,9,13,15H,2-3,8H2,1H3
InChIKeyVSZHFCQRFDRHKB-UHFFFAOYSA-N
XLogP3.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.25
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
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
1,3-dimethyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-4-sulfonamide
CID 6469799
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
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
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873460

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole?
The IUPAC name of 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole (CID 50747176) is 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole is Cc1c(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole?
The InChIKey is VSZHFCQRFDRHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-10-14(9-19-21(10)15(17)18)24(22,23)20-8-2-3-13(20)11-4-6-12(16)7-5-11/h4-7,9,13,15H,2-3,8H2,1H3.
What are the key properties of 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole?
1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole has a molecular weight of 359.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-5-methylpyrazole is sourced from PubChem (CID 50747176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).