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

C12H16F3N5O2S — CID 19614415

IUPAC1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C12H16F3N5O2S/c1-8-6-11(12(13,14)15)18-20(8)5-4-16-23(21,22)10-7-19(3)17-9(10)2/h6-7,16H,4-5H2,1-3H3
InChIKeyIIUYNMDJGSEQAS-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.23
Rot. Bonds5

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

1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 19614415) has the molecular formula C12H16F3N5O2S and a molecular weight of 351.35 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID19614415
Molecular FormulaC12H16F3N5O2S
Molecular Weight351.35 g/mol
Exact Mass351.10
IUPAC Name1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C12H16F3N5O2S/c1-8-6-11(12(13,14)15)18-20(8)5-4-16-23(21,22)10-7-19(3)17-9(10)2/h6-7,16H,4-5H2,1-3H3
InChIKeyIIUYNMDJGSEQAS-UHFFFAOYSA-N
XLogP1.23
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide (CID 19614415) is 1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCCn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is IIUYNMDJGSEQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O2S/c1-8-6-11(12(13,14)15)18-20(8)5-4-16-23(21,22)10-7-19(3)17-9(10)2/h6-7,16H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 351.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).