1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide

C14H20F3N5O2S — CID 19614555

IUPAC1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
SMILESCCC(CCNS(=O)(=O)c1cnn(C)c1C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O2S/c1-4-11(22-8-6-13(20-22)14(15,16)17)5-7-19-25(23,24)12-9-18-21(3)10(12)2/h6,8-9,11,19H,4-5,7H2,1-3H3
InChIKeyYSVQWVLFTUDLOZ-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.26
Rot. Bonds7

About 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide

1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide (PubChem CID 19614555) has the molecular formula C14H20F3N5O2S and a molecular weight of 379.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
PubChem CID19614555
Molecular FormulaC14H20F3N5O2S
Molecular Weight379.41 g/mol
Exact Mass379.13
IUPAC Name1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide
SMILESCCC(CCNS(=O)(=O)c1cnn(C)c1C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O2S/c1-4-11(22-8-6-13(20-22)14(15,16)17)5-7-19-25(23,24)12-9-18-21(3)10(12)2/h6,8-9,11,19H,4-5,7H2,1-3H3
InChIKeyYSVQWVLFTUDLOZ-UHFFFAOYSA-N
XLogP2.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide (CID 19614555) is 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide is CCC(CCNS(=O)(=O)c1cnn(C)c1C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
The InChIKey is YSVQWVLFTUDLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2S/c1-4-11(22-8-6-13(20-22)14(15,16)17)5-7-19-25(23,24)12-9-18-21(3)10(12)2/h6,8-9,11,19H,4-5,7H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide has a molecular weight of 379.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-[3-(trifluoromethyl)pyrazol-1-yl]pentyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).