4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide

C18H23F2N3O3S — CID 19931800

IUPAC4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(CC)CC)cc1C(F)F
InChIInChI=1S/C18H23F2N3O3S/c1-5-13-10-8-9-12(4)15(13)27(25,26)17-14(16(19)20)11-23(21-17)18(24)22(6-2)7-3/h8-11,16H,5-7H2,1-4H3
InChIKeyMSWXERDGNYGURD-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.83
Rot. Bonds6

About 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide

4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide (PubChem CID 19931800) has the molecular formula C18H23F2N3O3S and a molecular weight of 399.46 g/mol. Its IUPAC name is 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide
PubChem CID19931800
Molecular FormulaC18H23F2N3O3S
Molecular Weight399.46 g/mol
Exact Mass399.14
IUPAC Name4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(CC)CC)cc1C(F)F
InChIInChI=1S/C18H23F2N3O3S/c1-5-13-10-8-9-12(4)15(13)27(25,26)17-14(16(19)20)11-23(21-17)18(24)22(6-2)7-3/h8-11,16H,5-7H2,1-4H3
InChIKeyMSWXERDGNYGURD-UHFFFAOYSA-N
XLogP3.83
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide (CID 19931800) is 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide is CCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(CC)CC)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide?
The InChIKey is MSWXERDGNYGURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3S/c1-5-13-10-8-9-12(4)15(13)27(25,26)17-14(16(19)20)11-23(21-17)18(24)22(6-2)7-3/h8-11,16H,5-7H2,1-4H3.
What are the key properties of 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide?
4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N,N-diethyl-3-(2-ethyl-6-methylphenyl)sulfonylpyrazole-1-carboxamide is sourced from PubChem (CID 19931800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).