N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide

C18H10F4N4O3S — CID 78895628

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2ccn(-c3ccccc3F)n2)cc1C(F)(F)F
InChIInChI=1S/C18H10F4N4O3S/c19-14-3-1-2-4-16(14)26-8-7-15(24-26)17(27)25-30(28,29)12-6-5-11(10-23)13(9-12)18(20,21)22/h1-9H,(H,25,27)
InChIKeyDKOHZGVMKSRDLZ-UHFFFAOYSA-N
MW438.36 g/mol
LogP3.02
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 78895628) has the molecular formula C18H10F4N4O3S and a molecular weight of 438.36 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID78895628
Molecular FormulaC18H10F4N4O3S
Molecular Weight438.36 g/mol
Exact Mass438.04
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2ccn(-c3ccccc3F)n2)cc1C(F)(F)F
InChIInChI=1S/C18H10F4N4O3S/c19-14-3-1-2-4-16(14)26-8-7-15(24-26)17(27)25-30(28,29)12-6-5-11(10-23)13(9-12)18(20,21)22/h1-9H,(H,25,27)
InChIKeyDKOHZGVMKSRDLZ-UHFFFAOYSA-N
XLogP3.02
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide (CID 78895628) is N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide is N#Cc1ccc(S(=O)(=O)NC(=O)c2ccn(-c3ccccc3F)n2)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is DKOHZGVMKSRDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N4O3S/c19-14-3-1-2-4-16(14)26-8-7-15(24-26)17(27)25-30(28,29)12-6-5-11(10-23)13(9-12)18(20,21)22/h1-9H,(H,25,27).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 438.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 78895628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).