4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole

C14H13FN4O2S — CID 19615281

IUPAC4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1S(=O)(=O)n1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN4O2S/c1-10-14(9-18(2)16-10)22(20,21)19-8-7-13(17-19)11-3-5-12(15)6-4-11/h3-9H,1-2H3
InChIKeyBUNRGZKFUPUQQG-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.97
Rot. Bonds3

About 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole

4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole (PubChem CID 19615281) has the molecular formula C14H13FN4O2S and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole
PubChem CID19615281
Molecular FormulaC14H13FN4O2S
Molecular Weight320.35 g/mol
Exact Mass320.07
IUPAC Name4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1S(=O)(=O)n1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN4O2S/c1-10-14(9-18(2)16-10)22(20,21)19-8-7-13(17-19)11-3-5-12(15)6-4-11/h3-9H,1-2H3
InChIKeyBUNRGZKFUPUQQG-UHFFFAOYSA-N
XLogP1.97
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole?
The IUPAC name of 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole (CID 19615281) is 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole.
What is the SMILES notation for 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole?
The canonical SMILES for 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole is Cc1nn(C)cc1S(=O)(=O)n1ccc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole?
The InChIKey is BUNRGZKFUPUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2S/c1-10-14(9-18(2)16-10)22(20,21)19-8-7-13(17-19)11-3-5-12(15)6-4-11/h3-9H,1-2H3.
What are the key properties of 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole?
4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole has a molecular weight of 320.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)pyrazol-1-yl]sulfonyl-1,3-dimethylpyrazole is sourced from PubChem (CID 19615281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).