1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide

C12H14F5N5O2S — CID 19614442

IUPAC1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1cc(C(F)(F)F)nn1CCNS(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C12H14F5N5O2S/c1-7-5-10(12(15,16)17)20-21(7)4-3-19-25(23,24)9-6-18-22(8(9)2)11(13)14/h5-6,11,19H,3-4H2,1-2H3
InChIKeyKBLDLXKOCVPSND-UHFFFAOYSA-N
MW387.33 g/mol
LogP2.09
Rot. Bonds6

About 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide

1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 19614442) has the molecular formula C12H14F5N5O2S and a molecular weight of 387.33 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID19614442
Molecular FormulaC12H14F5N5O2S
Molecular Weight387.33 g/mol
Exact Mass387.08
IUPAC Name1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1cc(C(F)(F)F)nn1CCNS(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C12H14F5N5O2S/c1-7-5-10(12(15,16)17)20-21(7)4-3-19-25(23,24)9-6-18-22(8(9)2)11(13)14/h5-6,11,19H,3-4H2,1-2H3
InChIKeyKBLDLXKOCVPSND-UHFFFAOYSA-N
XLogP2.09
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-N-[(3S)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
CID 51853506
N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
CID 19621228
1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
CID 22207674
2,3,5,6-tetramethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22207668
4-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22207644
4-(2-methylpropyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzenesulfonamide
CID 22207651
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-nitrobenzenesulfonamide
CID 17022840
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19581976
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butane-1-sulfonamide
CID 22207672
1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
CID 177135675
1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
CID 165460480
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19517540

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide (CID 19614442) is 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide is Cc1cc(C(F)(F)F)nn1CCNS(=O)(=O)c1cnn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is KBLDLXKOCVPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N5O2S/c1-7-5-10(12(15,16)17)20-21(7)4-3-19-25(23,24)9-6-18-22(8(9)2)11(13)14/h5-6,11,19H,3-4H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 387.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).