N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H14F3N5O3S — CID 66677737

IUPACN-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C20H14F3N5O3S/c21-20(22,23)15-8-4-5-9-16(15)32(30,31)27-17-10-11-28-18(26-17)14(12-24-28)19(29)25-13-6-2-1-3-7-13/h1-12H,(H,25,29)(H,26,27)
InChIKeyGRFPFQPCHCWMHY-UHFFFAOYSA-N
MW461.43 g/mol
LogP3.80
Rot. Bonds5

About N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66677737) has the molecular formula C20H14F3N5O3S and a molecular weight of 461.43 g/mol. Its IUPAC name is N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66677737
Molecular FormulaC20H14F3N5O3S
Molecular Weight461.43 g/mol
Exact Mass461.08
IUPAC NameN-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cnn2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C20H14F3N5O3S/c21-20(22,23)15-8-4-5-9-16(15)32(30,31)27-17-10-11-28-18(26-17)14(12-24-28)19(29)25-13-6-2-1-3-7-13/h1-12H,(H,25,29)(H,26,27)
InChIKeyGRFPFQPCHCWMHY-UHFFFAOYSA-N
XLogP3.80
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-hydroxyethylamino)-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677577
5-[(2-hydroxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677802
5-[(2-methylphenyl)sulfonylamino]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063170
5-amino-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274104
5-[1-(3,5-difluorophenyl)ethylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063195
5-[(3-methylimidazol-4-yl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66676454
5-[(2-ethoxyphenyl)methylamino]-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66677518
N-(6-fluoro-2-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 104821669
N-cyclohexyl-5-[(2,6-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063059
5-amino-N-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66676727
5-(2,5-diazabicyclo[2.2.2]octan-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516595
5-(2,6-difluoro-N-sulfinoanilino)-3-(phenylcarbamoyl)pyrazolo[1,5-a]pyrimidine
CID 66677774

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66677737) is N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccccc1)c1cnn2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)nc12.
What is the InChIKey of N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GRFPFQPCHCWMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3S/c21-20(22,23)15-8-4-5-9-16(15)32(30,31)27-17-10-11-28-18(26-17)14(12-24-28)19(29)25-13-6-2-1-3-7-13/h1-12H,(H,25,29)(H,26,27).
What are the key properties of N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 461.43 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66677737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).