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

C14H18F5N5O2S — CID 19614865

IUPAC1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)CNS(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C14H18F5N5O2S/c1-8(7-23-9(2)4-12(22-23)14(17,18)19)5-21-27(25,26)11-6-20-24(10(11)3)13(15)16/h4,6,8,13,21H,5,7H2,1-3H3
InChIKeyISORUUZHAFYGMW-UHFFFAOYSA-N
MW415.39 g/mol
LogP2.72
Rot. Bonds7

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

1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (PubChem CID 19614865) has the molecular formula C14H18F5N5O2S and a molecular weight of 415.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
PubChem CID19614865
Molecular FormulaC14H18F5N5O2S
Molecular Weight415.39 g/mol
Exact Mass415.11
IUPAC Name1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)CNS(=O)(=O)c1cnn(C(F)F)c1C
InChIInChI=1S/C14H18F5N5O2S/c1-8(7-23-9(2)4-12(22-23)14(17,18)19)5-21-27(25,26)11-6-20-24(10(11)3)13(15)16/h4,6,8,13,21H,5,7H2,1-3H3
InChIKeyISORUUZHAFYGMW-UHFFFAOYSA-N
XLogP2.72
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (CID 19614865) is 1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is Cc1cc(C(F)(F)F)nn1CC(C)CNS(=O)(=O)c1cnn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The InChIKey is ISORUUZHAFYGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F5N5O2S/c1-8(7-23-9(2)4-12(22-23)14(17,18)19)5-21-27(25,26)11-6-20-24(10(11)3)13(15)16/h4,6,8,13,21H,5,7H2,1-3H3.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
1-(difluoromethyl)-5-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide has a molecular weight of 415.39 g/mol, XLogP of 2.72, 7 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-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).