5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide

C20H18F3N3O4S — CID 54000986

IUPAC5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)N1NC(C2CC2)=CC1c1ccccc1
InChIInChI=1S/C20H18F3N3O4S/c21-20(22,23)30-17-8-4-5-9-18(17)31(28,29)25-19(27)26-16(14-6-2-1-3-7-14)12-15(24-26)13-10-11-13/h1-9,12-13,16,24H,10-11H2,(H,25,27)
InChIKeyKLPAXCNQDWEIRG-UHFFFAOYSA-N
MW453.44 g/mol
LogP3.84
Rot. Bonds5

About 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide

5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide (PubChem CID 54000986) has the molecular formula C20H18F3N3O4S and a molecular weight of 453.44 g/mol. Its IUPAC name is 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
PubChem CID54000986
Molecular FormulaC20H18F3N3O4S
Molecular Weight453.44 g/mol
Exact Mass453.10
IUPAC Name5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)N1NC(C2CC2)=CC1c1ccccc1
InChIInChI=1S/C20H18F3N3O4S/c21-20(22,23)30-17-8-4-5-9-18(17)31(28,29)25-19(27)26-16(14-6-2-1-3-7-14)12-15(24-26)13-10-11-13/h1-9,12-13,16,24H,10-11H2,(H,25,27)
InChIKeyKLPAXCNQDWEIRG-UHFFFAOYSA-N
XLogP3.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide (CID 54000986) is 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1OC(F)(F)F)N1NC(C2CC2)=CC1c1ccccc1.
What is the InChIKey of 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
The InChIKey is KLPAXCNQDWEIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4S/c21-20(22,23)30-17-8-4-5-9-18(17)31(28,29)25-19(27)26-16(14-6-2-1-3-7-14)12-15(24-26)13-10-11-13/h1-9,12-13,16,24H,10-11H2,(H,25,27).
What are the key properties of 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide?
5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide has a molecular weight of 453.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-phenyl-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,3-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 54000986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).