1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole

C17H18F4N2O2S — CID 10157197

IUPAC1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1cc(F)c(-c2cc(C(F)F)nn2C2CCCCC2)cc1F
InChIInChI=1S/C17H18F4N2O2S/c1-26(24,25)16-8-12(18)11(7-13(16)19)15-9-14(17(20)21)22-23(15)10-5-3-2-4-6-10/h7-10,17H,2-6H2,1H3
InChIKeyZCDPWPOLONATIC-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.67
Rot. Bonds4

About 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole

1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole (PubChem CID 10157197) has the molecular formula C17H18F4N2O2S and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole
PubChem CID10157197
Molecular FormulaC17H18F4N2O2S
Molecular Weight390.40 g/mol
Exact Mass390.10
IUPAC Name1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole
SMILESCS(=O)(=O)c1cc(F)c(-c2cc(C(F)F)nn2C2CCCCC2)cc1F
InChIInChI=1S/C17H18F4N2O2S/c1-26(24,25)16-8-12(18)11(7-13(16)19)15-9-14(17(20)21)22-23(15)10-5-3-2-4-6-10/h7-10,17H,2-6H2,1H3
InChIKeyZCDPWPOLONATIC-UHFFFAOYSA-N
XLogP4.67
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole (CID 10157197) is 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole is CS(=O)(=O)c1cc(F)c(-c2cc(C(F)F)nn2C2CCCCC2)cc1F.
What is the InChIKey of 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole?
The InChIKey is ZCDPWPOLONATIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N2O2S/c1-26(24,25)16-8-12(18)11(7-13(16)19)15-9-14(17(20)21)22-23(15)10-5-3-2-4-6-10/h7-10,17H,2-6H2,1H3.
What are the key properties of 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole?
1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole has a molecular weight of 390.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(difluoromethyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 10157197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).