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

C14H20F3N5O2S — CID 22207674

IUPAC1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H20F3N5O2S/c1-9-8-12(14(15,16)17)20-22(9)7-5-6-18-25(23,24)13-10(2)19-21(4)11(13)3/h8,18H,5-7H2,1-4H3
InChIKeyJQTZVGUBSCCRHB-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.93
Rot. Bonds6

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

1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (PubChem CID 22207674) has the molecular formula C14H20F3N5O2S and a molecular weight of 379.41 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
PubChem CID22207674
Molecular FormulaC14H20F3N5O2S
Molecular Weight379.41 g/mol
Exact Mass379.13
IUPAC Name1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H20F3N5O2S/c1-9-8-12(14(15,16)17)20-22(9)7-5-6-18-25(23,24)13-10(2)19-21(4)11(13)3/h8,18H,5-7H2,1-4H3
InChIKeyJQTZVGUBSCCRHB-UHFFFAOYSA-N
XLogP1.93
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (CID 22207674) is 1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The InChIKey is JQTZVGUBSCCRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2S/c1-9-8-12(14(15,16)17)20-22(9)7-5-6-18-25(23,24)13-10(2)19-21(4)11(13)3/h8,18H,5-7H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide has a molecular weight of 379.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22207674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).