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

C12H16F3N5O2S — CID 19614401

IUPAC1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C)cnn1C
InChIInChI=1S/C12H16F3N5O2S/c1-8-6-11(12(13,14)15)18-20(8)5-4-17-23(21,22)10-7-16-19(3)9(10)2/h6-7,17H,4-5H2,1-3H3
InChIKeyXKJHTYAERUMPNQ-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.23
Rot. Bonds5

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

1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 19614401) has the molecular formula C12H16F3N5O2S and a molecular weight of 351.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID19614401
Molecular FormulaC12H16F3N5O2S
Molecular Weight351.35 g/mol
Exact Mass351.10
IUPAC Name1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C)cnn1C
InChIInChI=1S/C12H16F3N5O2S/c1-8-6-11(12(13,14)15)18-20(8)5-4-17-23(21,22)10-7-16-19(3)9(10)2/h6-7,17H,4-5H2,1-3H3
InChIKeyXKJHTYAERUMPNQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide (CID 19614401) is 1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCCn2nc(C(F)(F)F)cc2C)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is XKJHTYAERUMPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O2S/c1-8-6-11(12(13,14)15)18-20(8)5-4-17-23(21,22)10-7-16-19(3)9(10)2/h6-7,17H,4-5H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide?
1,5-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 1,5-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).