1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole

C14H12F2N2O2S — CID 172909531

IUPAC1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole
SMILESC=Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)C2CC2)c1
InChIInChI=1S/C14H12F2N2O2S/c1-2-9-5-13(15)14(16)6-12(9)10-7-17-18(8-10)21(19,20)11-3-4-11/h2,5-8,11H,1,3-4H2
InChIKeyDDAYJSGQBXQRTG-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.81
Rot. Bonds4

About 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole

1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole (PubChem CID 172909531) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole
PubChem CID172909531
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole
SMILESC=Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)C2CC2)c1
InChIInChI=1S/C14H12F2N2O2S/c1-2-9-5-13(15)14(16)6-12(9)10-7-17-18(8-10)21(19,20)11-3-4-11/h2,5-8,11H,1,3-4H2
InChIKeyDDAYJSGQBXQRTG-UHFFFAOYSA-N
XLogP2.81
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole?
The IUPAC name of 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole (CID 172909531) is 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole?
The canonical SMILES for 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole is C=Cc1cc(F)c(F)cc1-c1cnn(S(=O)(=O)C2CC2)c1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole?
The InChIKey is DDAYJSGQBXQRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c1-2-9-5-13(15)14(16)6-12(9)10-7-17-18(8-10)21(19,20)11-3-4-11/h2,5-8,11H,1,3-4H2.
What are the key properties of 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole?
1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole has a molecular weight of 310.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-(2-ethenyl-4,5-difluorophenyl)pyrazole is sourced from PubChem (CID 172909531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).