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

C12H16F3N5O2S — CID 19582075

IUPAC1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1cc(C(F)(F)F)nn1CCCNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H16F3N5O2S/c1-9-6-11(12(13,14)15)18-20(9)5-3-4-17-23(21,22)10-7-16-19(2)8-10/h6-8,17H,3-5H2,1-2H3
InChIKeyMTZBJSRLFCWVAI-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.31
Rot. Bonds6

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

1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (PubChem CID 19582075) has the molecular formula C12H16F3N5O2S and a molecular weight of 351.35 g/mol. Its IUPAC name is 1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
PubChem CID19582075
Molecular FormulaC12H16F3N5O2S
Molecular Weight351.35 g/mol
Exact Mass351.10
IUPAC Name1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide
SMILESCc1cc(C(F)(F)F)nn1CCCNS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H16F3N5O2S/c1-9-6-11(12(13,14)15)18-20(9)5-3-4-17-23(21,22)10-7-16-19(2)8-10/h6-8,17H,3-5H2,1-2H3
InChIKeyMTZBJSRLFCWVAI-UHFFFAOYSA-N
XLogP1.31
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.31
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-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide (CID 19582075) is 1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is Cc1cc(C(F)(F)F)nn1CCCNS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
The InChIKey is MTZBJSRLFCWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O2S/c1-9-6-11(12(13,14)15)18-20(9)5-3-4-17-23(21,22)10-7-16-19(2)8-10/h6-8,17H,3-5H2,1-2H3.
What are the key properties of 1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide?
1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide has a molecular weight of 351.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19582075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).