N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide

C18H24FN3O3S — CID 19931960

IUPACN,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2c(C)cccc2C(C)C)n1
InChIInChI=1S/C18H24FN3O3S/c1-6-21(7-2)18(23)22-11-15(19)17(20-22)26(24,25)16-13(5)9-8-10-14(16)12(3)4/h8-12H,6-7H2,1-5H3
InChIKeyLSUSZNUWMLLHCU-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.60
Rot. Bonds5

About N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide

N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide (PubChem CID 19931960) has the molecular formula C18H24FN3O3S and a molecular weight of 381.47 g/mol. Its IUPAC name is N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide
PubChem CID19931960
Molecular FormulaC18H24FN3O3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC NameN,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide
SMILESCCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2c(C)cccc2C(C)C)n1
InChIInChI=1S/C18H24FN3O3S/c1-6-21(7-2)18(23)22-11-15(19)17(20-22)26(24,25)16-13(5)9-8-10-14(16)12(3)4/h8-12H,6-7H2,1-5H3
InChIKeyLSUSZNUWMLLHCU-UHFFFAOYSA-N
XLogP3.60
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide?
The IUPAC name of N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide (CID 19931960) is N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide is CCN(CC)C(=O)n1cc(F)c(S(=O)(=O)c2c(C)cccc2C(C)C)n1.
What is the InChIKey of N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide?
The InChIKey is LSUSZNUWMLLHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3S/c1-6-21(7-2)18(23)22-11-15(19)17(20-22)26(24,25)16-13(5)9-8-10-14(16)12(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide?
N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide has a molecular weight of 381.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluoro-3-(2-methyl-6-propan-2-ylphenyl)sulfonylpyrazole-1-carboxamide is sourced from PubChem (CID 19931960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).