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

C15H22F3N5O2S — CID 19614495

IUPAC1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(C)Cn2nc(C(F)(F)F)cc2C)c(C)n1
InChIInChI=1S/C15H22F3N5O2S/c1-5-22-9-13(12(4)20-22)26(24,25)19-7-10(2)8-23-11(3)6-14(21-23)15(16,17)18/h6,9-10,19H,5,7-8H2,1-4H3
InChIKeySLJGJIRLYHFXCF-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.35
Rot. Bonds7

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

1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (PubChem CID 19614495) has the molecular formula C15H22F3N5O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
PubChem CID19614495
Molecular FormulaC15H22F3N5O2S
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(C)Cn2nc(C(F)(F)F)cc2C)c(C)n1
InChIInChI=1S/C15H22F3N5O2S/c1-5-22-9-13(12(4)20-22)26(24,25)19-7-10(2)8-23-11(3)6-14(21-23)15(16,17)18/h6,9-10,19H,5,7-8H2,1-4H3
InChIKeySLJGJIRLYHFXCF-UHFFFAOYSA-N
XLogP2.35
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (CID 19614495) is 1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(C)Cn2nc(C(F)(F)F)cc2C)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The InChIKey is SLJGJIRLYHFXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O2S/c1-5-22-9-13(12(4)20-22)26(24,25)19-7-10(2)8-23-11(3)6-14(21-23)15(16,17)18/h6,9-10,19H,5,7-8H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide has a molecular weight of 393.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19614495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).