4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole

C14H14F2N2O2S — CID 172909530

IUPAC4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole
SMILESC=Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C14H14F2N2O2S/c1-4-10-5-13(15)14(16)6-12(10)11-7-17-18(8-11)21(19,20)9(2)3/h4-9H,1H2,2-3H3
InChIKeyNMJFONRVFXIGPZ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.06
Rot. Bonds4

About 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole

4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole (PubChem CID 172909530) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole.

Molecular Properties

Compound Name4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole
PubChem CID172909530
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole
SMILESC=Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)C(C)C)c1
InChIInChI=1S/C14H14F2N2O2S/c1-4-10-5-13(15)14(16)6-12(10)11-7-17-18(8-11)21(19,20)9(2)3/h4-9H,1H2,2-3H3
InChIKeyNMJFONRVFXIGPZ-UHFFFAOYSA-N
XLogP3.06
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole?
The IUPAC name of 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole (CID 172909530) is 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole.
What is the SMILES notation for 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole?
The canonical SMILES for 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole is C=Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)C(C)C)c1.
What is the InChIKey of 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole?
The InChIKey is NMJFONRVFXIGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-4-10-5-13(15)14(16)6-12(10)11-7-17-18(8-11)21(19,20)9(2)3/h4-9H,1H2,2-3H3.
What are the key properties of 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole?
4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole has a molecular weight of 312.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenyl-4,5-difluorophenyl)-1-propan-2-ylsulfonylpyrazole is sourced from PubChem (CID 172909530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).