5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole

C10H7F3N2O2S — CID 174313100

IUPAC5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1ccn[nH]1
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)7-2-1-3-8(6-7)18(16,17)9-4-5-14-15-9/h1-6H,(H,14,15)
InChIKeyJPYSFDXFCPPHRD-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.26
Rot. Bonds2

About 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole

5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole (PubChem CID 174313100) has the molecular formula C10H7F3N2O2S and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole
PubChem CID174313100
Molecular FormulaC10H7F3N2O2S
Molecular Weight276.24 g/mol
Exact Mass276.02
IUPAC Name5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)c1ccn[nH]1
InChIInChI=1S/C10H7F3N2O2S/c11-10(12,13)7-2-1-3-8(6-7)18(16,17)9-4-5-14-15-9/h1-6H,(H,14,15)
InChIKeyJPYSFDXFCPPHRD-UHFFFAOYSA-N
XLogP2.26
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole (CID 174313100) is 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole is O=S(=O)(c1cccc(C(F)(F)F)c1)c1ccn[nH]1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole?
The InChIKey is JPYSFDXFCPPHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S/c11-10(12,13)7-2-1-3-8(6-7)18(16,17)9-4-5-14-15-9/h1-6H,(H,14,15).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole?
5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole has a molecular weight of 276.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole is sourced from PubChem (CID 174313100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).