1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide

C18H20F3N5O2S — CID 29089869

IUPAC1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N(CCc1ccc(F)cc1)Cc1ccnn1C
InChIInChI=1S/C18H20F3N5O2S/c1-13-17(12-26(23-13)18(20)21)29(27,28)25(11-16-7-9-22-24(16)2)10-8-14-3-5-15(19)6-4-14/h3-7,9,12,18H,8,10-11H2,1-2H3
InChIKeyFTFJIYGETPFVIZ-UHFFFAOYSA-N
MW427.45 g/mol
LogP2.89
Rot. Bonds8

About 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 29089869) has the molecular formula C18H20F3N5O2S and a molecular weight of 427.45 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID29089869
Molecular FormulaC18H20F3N5O2S
Molecular Weight427.45 g/mol
Exact Mass427.13
IUPAC Name1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(F)F)cc1S(=O)(=O)N(CCc1ccc(F)cc1)Cc1ccnn1C
InChIInChI=1S/C18H20F3N5O2S/c1-13-17(12-26(23-13)18(20)21)29(27,28)25(11-16-7-9-22-24(16)2)10-8-14-3-5-15(19)6-4-14/h3-7,9,12,18H,8,10-11H2,1-2H3
InChIKeyFTFJIYGETPFVIZ-UHFFFAOYSA-N
XLogP2.89
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 29089968
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29096121
1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29090004
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 29089998
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
CID 115883105
N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 35527395
1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030616
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
4-methyl-1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-ol
CID 103027950
5-[4-bromo-3-(bromomethyl)-3-(4-fluorophenyl)butyl]-1-methylpyrazole
CID 103019072

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide (CID 29089869) is 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C(F)F)cc1S(=O)(=O)N(CCc1ccc(F)cc1)Cc1ccnn1C.
What is the InChIKey of 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is FTFJIYGETPFVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2S/c1-13-17(12-26(23-13)18(20)21)29(27,28)25(11-16-7-9-22-24(16)2)10-8-14-3-5-15(19)6-4-14/h3-7,9,12,18H,8,10-11H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 427.45 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 29089869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).